General Information of the Compound
| Compound ID |
CP0515902
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| Compound Name |
17b-hydroxy-7a-{9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl}-5a-androstan-3-one
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| Structure |
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| Formula |
C33H53F5O3S
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| Molecular Weight |
624.841
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C33H53F5O3S/c1-30-17-14-25(39)22-24(30)21-23(29-26-12-13-28(40)31(26,2)18-15-27(29)30)11-8-6-4-3-5-7-9-19-42(41)20-10-16-32(34,35)33(36,37)38/h23-24,26-29,40H,3-22H2,1-2H3/t23-,24?,26+,27+,28+,29+,30+,31+,42?/m1/s1
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| InChIKey |
AVEMUXFNMGKYNB-LKJWXFBHSA-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