General Information of the Compound
| Compound ID |
CP0543823
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| Compound Name |
(3R,5S,8R,9R,10S,13S,14S)-3-[[2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C32H45F3N2O4S
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| Molecular Weight |
610.783
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| Canonical SMILES |
CC1CN(C(C)CN1C[C@@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)S(=O)(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C32H45F3N2O4S/c1-20-18-37(42(40,41)28-7-5-4-6-27(28)32(33,34)35)21(2)17-36(20)19-31(39)15-13-23-22(16-31)8-9-25-24(23)12-14-30(3)26(25)10-11-29(30)38/h4-7,20-26,39H,8-19H2,1-3H3/t20?,21?,22-,23-,24+,25+,26-,30-,31+/m0/s1
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| InChIKey |
PCSOYNUQIPGXEE-DOGIUROUSA-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