General Information of the Compound
| Compound ID |
CP0160807
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| Compound Name |
(8R,9S,10S,13S,14S,17S)-13-methyl-3-phenyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
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| Structure |
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| Formula |
C26H32O
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| Molecular Weight |
360.541
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C26H32O/c1-3-26-16-13-19(18-7-5-4-6-8-18)17-20(26)9-10-21-22-11-12-24(27)25(22,2)15-14-23(21)26/h3-9,17,21-24,27H,1,10-16H2,2H3/t21-,22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
NUZBYJNMAHLREU-FRSCJGFNSA-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