General Information of the Compound
| Compound ID |
CP0437255
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| Compound Name |
17b-hydroxy-7a-{11-(4,4,5,5,5-pentafluoropentylsulfinyl)undecyl}-5a-androstan-3-one
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| Structure |
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| Formula |
C35H57F5O3S
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| Molecular Weight |
652.895
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C35H57F5O3S/c1-32-19-16-27(41)24-26(32)23-25(31-28-14-15-30(42)33(28,2)20-17-29(31)32)13-10-8-6-4-3-5-7-9-11-21-44(43)22-12-18-34(36,37)35(38,39)40/h25-26,28-31,42H,3-24H2,1-2H3/t25-,26?,28+,29+,30+,31+,32+,33+,44?/m1/s1
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| InChIKey |
CDKOPVPFJIUNEN-ZORBKQAVSA-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