General Information of the Compound
| Compound ID |
CP0412445
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| Compound Name |
(8S,11R,13S,14S,17S)-17-(cyclopropanecarbonyl)-11-[4-(6-methoxypyridin-3-yl)phenyl]-13-methyl-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 |
C34H37NO3
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| Molecular Weight |
507.674
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]2C(=O)C2CC2)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C34H37NO3/c1-34-18-28(21-5-3-20(4-6-21)24-10-16-31(38-2)35-19-24)32-26-13-11-25(36)17-23(26)9-12-27(32)29(34)14-15-30(34)33(37)22-7-8-22/h3-6,10,16-17,19,22,27-30H,7-9,11-15,18H2,1-2H3/t27-,28+,29-,30+,34-/m0/s1
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| InChIKey |
CBAXMWATMDOQLY-MIPTWNPFSA-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