General Information of the Compound
| Compound ID |
CP0412443
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| Compound Name |
(8S,11R,13S,14S,17S)-17-(cyclopropanecarbonyl)-13-methyl-11-(4-pyridin-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 |
C33H35NO2
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| Molecular Weight |
477.648
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| Canonical SMILES |
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)C1CC1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C33H35NO2/c1-33-18-28(21-6-4-20(5-7-21)24-3-2-16-34-19-24)31-26-13-11-25(35)17-23(26)10-12-27(31)29(33)14-15-30(33)32(36)22-8-9-22/h2-7,16-17,19,22,27-30H,8-15,18H2,1H3/t27-,28+,29-,30+,33-/m0/s1
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| InChIKey |
NVYBWXHWNQURJF-JOJROWHISA-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