General Information of the Compound
| Compound ID |
CP0444555
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| Compound Name |
17b-hydroxy-7a-{7-(4,4,5,5,5-pentafluoropentylsulfinyl)heptyl}-5a-androstan-3-one
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| Structure |
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| Formula |
C31H49F5O3S
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| Molecular Weight |
596.787
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C31H49F5O3S/c1-28-15-12-23(37)20-22(28)19-21(27-24-10-11-26(38)29(24,2)16-13-25(27)28)9-6-4-3-5-7-17-40(39)18-8-14-30(32,33)31(34,35)36/h21-22,24-27,38H,3-20H2,1-2H3/t21-,22?,24+,25+,26+,27+,28+,29+,40?/m1/s1
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| InChIKey |
TWJKTACTIIDIJQ-VDUGTIBWSA-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