General Information of the Compound
| Compound ID |
CP0494925
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| Compound Name |
N-[(3S,8R,9S,10R,13S,14S)-17-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C28H34N4O
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| Molecular Weight |
442.607
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccncc3)[C@@H]1CC=C2n1ccnc1
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| InChI |
InChI=1S/C28H34N4O/c1-27-11-7-21(31-26(33)19-9-13-29-14-10-19)17-20(27)3-4-22-23-5-6-25(32-16-15-30-18-32)28(23,2)12-8-24(22)27/h3,6,9-10,13-16,18,21-24H,4-5,7-8,11-12,17H2,1-2H3,(H,31,33)/t21-,22-,23-,24-,27-,28-/m0/s1
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| InChIKey |
MQLPIBXCLWOSHB-YPZLOKHQSA-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