General Information of the Compound
| Compound ID |
CP0526672
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| Compound Name |
(8S,11R,13S,14S,17S)-17-(cyclopropanecarbonyl)-13,17-dimethyl-11-(4-pyridin-3-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C34H37NO2
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| Molecular Weight |
491.675
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| Canonical SMILES |
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C)C(=O)C1CC1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C34H37NO2/c1-33(32(37)23-9-10-23)16-15-30-28-13-11-24-18-26(36)12-14-27(24)31(28)29(19-34(30,33)2)22-7-5-21(6-8-22)25-4-3-17-35-20-25/h3-8,17-18,20,23,28-30H,9-16,19H2,1-2H3/t28-,29+,30-,33+,34-/m0/s1
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| InChIKey |
CLOUGBAXWNVTJH-OIPVWHMQSA-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