General Information of the Compound
| Compound ID |
CP0533524
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| Compound Name |
(8R,9S,13S,14S)-3-[2-[2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1-fluoroethyl]-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 |
C33H40F4N2O3S
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| Molecular Weight |
620.753
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| Canonical SMILES |
CC1CN(C(C)CN1CC(F)c1ccc2[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/C33H40F4N2O3S/c1-20-18-39(43(41,42)30-7-5-4-6-28(30)33(35,36)37)21(2)17-38(20)19-29(34)23-9-10-24-22(16-23)8-11-26-25(24)14-15-32(3)27(26)12-13-31(32)40/h4-7,9-10,16,20-21,25-27,29H,8,11-15,17-19H2,1-3H3/t20?,21?,25-,26-,27+,29?,32+/m1/s1
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| InChIKey |
ITMYCGKBETTZMI-HPPAOWGVSA-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