General Information of the Compound
| Compound ID |
CP0505210
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| Compound Name |
(8S,11R,13S,14S,16R,17S)-17-(cyclopropanecarbonyl)-13,16-dimethyl-11-(4-pyrimidin-2-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 |
C33H36N2O2
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| Molecular Weight |
492.663
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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)-c1ncccn1
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| InChI |
InChI=1S/C33H36N2O2/c1-19-16-28-26-12-10-23-17-24(36)11-13-25(23)29(26)27(18-33(28,2)30(19)31(37)21-6-7-21)20-4-8-22(9-5-20)32-34-14-3-15-35-32/h3-5,8-9,14-15,17,19,21,26-28,30H,6-7,10-13,16,18H2,1-2H3/t19-,26+,27-,28+,30-,33+/m1/s1
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| InChIKey |
BHGBZYFRMJHBJC-ILQPJJJHSA-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