3-[(1S,2S)-1-[2-[[(4S)-2-(4-Fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methy...
C48H48F2N10O5
2212020-52-3 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  65 75 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 9.6999 16.7445 0.0 0
M  V30 2 C 11.7256 11.6221 0.0 0
M  V30 3 O 10.3920 12.3921 0.0 0
M  V30 4 O 13.3873 20.2141 0.0 0
M  V30 5 C 9.0583 10.0821 0.0 0
M  V30 6 C 23.1038 16.1043 0.0 0
M  V30 7 C 21.3893 17.0941 0.0 0
M  V30 8 O 7.8848 9.8023 0.0 0
M  V30 9 C 5.2539 2.6673 0.0 0
M  V30 10 C 9.8739 0.0000 0.0 0
M  V30 11 F 6.7939 0.0000 0.0 0
M  V30 12 F 2.5704 7.6672 0.0 0
M  V30 13 C 1.2459 14.1862 0.0 0
M  V30 14 C 12.0758 14.9541 0.0 0 CFG=1
M  V30 15 C 10.6479 15.5310 0.0 0 CFG=1
M  V30 16 C 10.8623 14.0061 0.0 0
M  V30 17 N 13.2204 13.9237 0.0 0
M  V30 18 C 14.7266 14.2438 0.0 0
M  V30 19 C 13.0593 12.3921 0.0 0
M  V30 20 C 15.4966 12.9102 0.0 0
M  V30 21 C 15.4966 15.5775 0.0 0
M  V30 22 C 14.4662 11.7657 0.0 0
M  V30 23 C 17.0366 12.9102 0.0 0
M  V30 24 C 17.0366 15.5775 0.0 0
M  V30 25 C 17.8066 14.2438 0.0 0
M  V30 26 C 12.8919 16.2602 0.0 0
M  V30 27 N 12.3150 17.6881 0.0 0
M  V30 28 N 14.4282 16.3675 0.0 0
M  V30 29 C 13.4948 18.6778 0.0 0
M  V30 30 O 14.8007 17.8618 0.0 0
M  V30 31 N 11.7256 10.0821 0.0 0
M  V30 32 C 10.3920 9.3121 0.0 0 CFG=1
M  V30 33 C 13.0593 9.3121 0.0 0
M  V30 34 C 10.3920 7.7721 0.0 0
M  V30 35 C 13.0593 7.7721 0.0 0
M  V30 36 C 9.2474 6.7415 0.0 0
M  V30 37 C 11.7256 7.0021 0.0 0
M  V30 38 N 9.8739 5.3347 0.0 0
M  V30 39 N 11.4055 5.4957 0.0 0
M  V30 40 C 19.3467 14.2438 0.0 0 CFG=1
M  V30 41 C 20.1167 15.5775 0.0 0
M  V30 42 C 20.1167 12.9102 0.0 0
M  V30 43 C 21.6567 15.5775 0.0 0
M  V30 44 C 21.6567 12.9102 0.0 0
M  V30 45 O 22.4267 14.2438 0.0 0
M  V30 46 N 7.7412 7.0619 0.0 0
M  V30 47 C 7.1148 8.4687 0.0 0
M  V30 48 C 6.5966 6.0313 0.0 0
M  V30 49 N 5.5831 8.3077 0.0 0
M  V30 50 C 5.2630 6.8013 0.0 0
M  V30 51 C 9.1039 4.0011 0.0 0
M  V30 52 C 7.5639 4.0011 0.0 0
M  V30 53 C 9.8739 2.6673 0.0 0
M  V30 54 C 6.7939 2.6673 0.0 0
M  V30 55 C 9.1039 1.3336 0.0 0
M  V30 56 C 7.5639 1.3336 0.0 0
M  V30 57 C 4.5527 9.4521 0.0 0
M  V30 58 C 3.0464 9.1319 0.0 0
M  V30 59 C 5.0286 10.9168 0.0 0
M  V30 60 C 2.0159 10.2763 0.0 0
M  V30 61 C 3.9982 12.0612 0.0 0
M  V30 62 C 2.4917 11.7410 0.0 0
M  V30 63 C 0.4759 10.2763 0.0 0
M  V30 64 N 1.2459 12.6462 0.0 0
M  V30 65 N 0.0000 11.7410 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 15 1 CFG=3
M  V30 2 2 2 3
M  V30 3 1 2 19
M  V30 4 1 2 31
M  V30 5 2 4 29
M  V30 6 1 32 5 CFG=3
M  V30 7 1 6 43
M  V30 8 1 7 43
M  V30 9 2 8 47
M  V30 10 1 9 54
M  V30 11 1 10 55
M  V30 12 1 11 56
M  V30 13 1 12 58
M  V30 14 1 13 64
M  V30 15 1 14 15
M  V30 16 1 14 16
M  V30 17 1 14 17 CFG=1
M  V30 18 1 14 26 CFG=3
M  V30 19 1 15 16
M  V30 20 1 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 2 18 21
M  V30 24 2 19 22
M  V30 25 1 20 22
M  V30 26 2 20 23
M  V30 27 1 21 24
M  V30 28 1 23 25
M  V30 29 2 24 25
M  V30 30 1 40 25 CFG=3
M  V30 31 1 26 27
M  V30 32 2 26 28
M  V30 33 1 27 29
M  V30 34 1 28 30
M  V30 35 1 29 30
M  V30 36 1 31 32
M  V30 37 1 31 33
M  V30 38 1 32 34
M  V30 39 1 33 35
M  V30 40 2 34 36
M  V30 41 1 34 37
M  V30 42 1 35 37
M  V30 43 1 36 38
M  V30 44 1 36 46
M  V30 45 2 37 39
M  V30 46 1 38 39
M  V30 47 1 38 51
M  V30 48 1 40 41
M  V30 49 1 40 42
M  V30 50 1 41 43
M  V30 51 1 42 44
M  V30 52 1 43 45
M  V30 53 1 44 45
M  V30 54 1 46 47
M  V30 55 1 46 48
M  V30 56 1 47 49
M  V30 57 2 48 50
M  V30 58 1 49 50
M  V30 59 1 49 57
M  V30 60 2 51 52
M  V30 61 1 51 53
M  V30 62 1 52 54
M  V30 63 2 53 55
M  V30 64 2 54 56
M  V30 65 1 55 56
M  V30 66 1 57 58
M  V30 67 2 57 59
M  V30 68 2 58 60
M  V30 69 1 59 61
M  V30 70 1 60 62
M  V30 71 1 60 63
M  V30 72 2 61 62
M  V30 73 1 62 64
M  V30 74 2 63 65
M  V30 75 1 64 65
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 14 15 32 40)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2212020-52-3

> <cas.index.name>
1,2,4-Oxadiazol-5(2H)-one, 3-[(1S,2S)-1-[2-[[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-1H-indol-1-yl]-2-methylcyclopropyl]-

> <molecular.formula>
C48H48F2N10O5

> <molecular.weight>
882.96

> <density.predicted>
1.50±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.33±0.20    Most Acidic Temp: 25 °C

$$$$
