General Information of the Compound
| Compound ID |
CP0396785
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| Compound Name |
(8R,9S,13S,14S)-2-[[2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-hydroxy-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 |
C32H39F3N2O4S
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| Molecular Weight |
604.735
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| Canonical SMILES |
CC1CN(C(C)CN1Cc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1O)S(=O)(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C32H39F3N2O4S/c1-19-17-37(42(40,41)29-7-5-4-6-27(29)32(33,34)35)20(2)16-36(19)18-22-14-25-21(15-28(22)38)8-9-24-23(25)12-13-31(3)26(24)10-11-30(31)39/h4-7,14-15,19-20,23-24,26,38H,8-13,16-18H2,1-3H3/t19?,20?,23-,24+,26-,31-/m0/s1
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| InChIKey |
NOQAYEQGBWLRIJ-LNLPLRJESA-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