General Information of the Compound
| Compound ID |
CP0893649
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| Compound Name |
N-((3R,8R,9S,10R,13S,14S)-17-(1H-imidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)acetamide
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| Structure |
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| Formula |
C24H33N3O
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| Molecular Weight |
379.548
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| Canonical SMILES |
CC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(n4ccnc4)=CC[C@@H]32)C1
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| InChI |
InChI=1S/C24H33N3O/c1-16(28)26-18-8-10-23(2)17(14-18)4-5-19-20-6-7-22(27-13-12-25-15-27)24(20,3)11-9-21(19)23/h4,7,12-13,15,18-21H,5-6,8-11,14H2,1-3H3,(H,26,28)/t18-,19+,20+,21+,23+,24+/m1/s1
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| InChIKey |
VGLKAQAEKHVBCA-HFWOUJIZSA-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