General Information of the Compound
| Compound ID |
CP0434492
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| Compound Name |
17beta-Hydroxy-7a-{5-(4,4,5,5,5-pentafluoropentylsulfinyl)17b-Hydroxy-7a-{5-(4,4,5,5,5-pentafluoropentylsulfinyl)pentyl}-5a-androstan-3-one
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| Structure |
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| Formula |
C29H45F5O3S
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| Molecular Weight |
568.733
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C29H45F5O3S/c1-26-13-10-21(35)18-20(26)17-19(25-22-8-9-24(36)27(22,2)14-11-23(25)26)7-4-3-5-15-38(37)16-6-12-28(30,31)29(32,33)34/h19-20,22-25,36H,3-18H2,1-2H3/t19-,20?,22+,23+,24+,25+,26+,27+,38?/m1/s1
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| InChIKey |
GRFRSLAQWWDZEZ-MHSPNPQUSA-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