General Information of the Compound
| Compound ID |
CP0503326
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| Compound Name |
(8R,9S,13S,14S,17R)-13-methyl-17-(naphthalen-1-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C29H32O2
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| Molecular Weight |
412.573
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc2ccccc12
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| InChI |
InChI=1S/C29H32O2/c1-28-15-13-25-24-12-10-22(30)17-20(24)9-11-26(25)27(28)14-16-29(28,31)18-21-7-4-6-19-5-2-3-8-23(19)21/h2-8,10,12,17,25-27,30-31H,9,11,13-16,18H2,1H3/t25-,26-,27+,28+,29-/m1/s1
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| InChIKey |
OOWFOSWUCIMXNB-MJXUZWQSSA-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