General Information of the Compound
| Compound ID |
CP0508205
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| Compound Name |
(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-N-(pyridin-3-ylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxamide
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| Structure |
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| Formula |
C25H30N2O3
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| Molecular Weight |
406.526
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC([C@@H]2O)C(=O)NCc1cccnc1
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| InChI |
InChI=1S/C25H30N2O3/c1-25-9-8-19-18-7-5-17(28)11-16(18)4-6-20(19)22(25)12-21(23(25)29)24(30)27-14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-23,28-29H,4,6,8-9,12,14H2,1H3,(H,27,30)/t19-,20-,21?,22+,23+,25+/m1/s1
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| InChIKey |
JLDAJRITWUSQME-JEPFLTFQSA-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