General Information of the Compound
| Compound ID |
CP0490631
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| Compound Name |
(8S,11R,13S,14S,16R,17S)-17-(cyclopropanecarbonyl)-13,16-dimethyl-11-(4-quinolin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C38H39NO2
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| Molecular Weight |
541.735
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| Canonical SMILES |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C38H39NO2/c1-22-17-33-31-15-13-26-19-29(40)14-16-30(26)35(31)32(20-38(33,2)36(22)37(41)25-11-12-25)24-9-7-23(8-10-24)28-18-27-5-3-4-6-34(27)39-21-28/h3-10,18-19,21-22,25,31-33,36H,11-17,20H2,1-2H3/t22-,31+,32-,33+,36-,38+/m1/s1
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| InChIKey |
HMLOAJPEEJRYFG-YWIPDPJESA-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