General Information of the Compound
| Compound ID |
CP0373473
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| Compound Name |
(8S,11R,13S,14S,16R,17S)-17-(cyclopropanecarbonyl)-13,16-dimethyl-11-(4-pyridin-4-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 |
C34H37NO2
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| Molecular Weight |
491.675
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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)-c1ccncc1
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| InChI |
InChI=1S/C34H37NO2/c1-20-17-30-28-11-9-25-18-26(36)10-12-27(25)31(28)29(19-34(30,2)32(20)33(37)24-7-8-24)23-5-3-21(4-6-23)22-13-15-35-16-14-22/h3-6,13-16,18,20,24,28-30,32H,7-12,17,19H2,1-2H3/t20-,28+,29-,30+,32-,34+/m1/s1
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| InChIKey |
MITLRWXNQOZATM-MOFFPKIDSA-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