General Information of the Compound
| Compound ID |
CP0378457
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| Compound Name |
17b-hydroxy-7a-{13-(4,4,5,5,5-pentafluoropentylsulfinyl)tridecyl}-5a-androstan-3-one
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| Structure |
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| Formula |
C37H61F5O3S
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| Molecular Weight |
680.949
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
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| InChI |
InChI=1S/C37H61F5O3S/c1-34-21-18-29(43)26-28(34)25-27(33-30-16-17-32(44)35(30,2)22-19-31(33)34)15-12-10-8-6-4-3-5-7-9-11-13-23-46(45)24-14-20-36(38,39)37(40,41)42/h27-28,30-33,44H,3-26H2,1-2H3/t27-,28?,30+,31+,32+,33+,34+,35+,46?/m1/s1
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| InChIKey |
RQRZTOHRDUOCND-FZHFXAEHSA-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