General Information of the Compound
| Compound ID |
CP0443949
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| Compound Name |
(8R,9S,13S,14S)-3-[2-[2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C33H41F3N2O3S
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| Molecular Weight |
602.763
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| Canonical SMILES |
CC1CN(C(C)CN1CCc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1)S(=O)(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C33H41F3N2O3S/c1-21-20-38(42(40,41)30-7-5-4-6-29(30)33(34,35)36)22(2)19-37(21)17-15-23-8-10-25-24(18-23)9-11-27-26(25)14-16-32(3)28(27)12-13-31(32)39/h4-8,10,18,21-22,26-28H,9,11-17,19-20H2,1-3H3/t21?,22?,26-,27-,28+,32+/m1/s1
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| InChIKey |
MAEFGFGBQJSFLS-STOOWHJTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound