General Information of the Compound
| Compound ID |
CP0427398
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| Compound Name |
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-methyl-N-propan-2-ylpentanamide
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| Structure |
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| Formula |
C28H47NO2
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| Molecular Weight |
429.689
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| Canonical SMILES |
CC(C)N(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C28H47NO2/c1-18(2)29(6)26(31)12-7-19(3)23-10-11-24-22-9-8-20-17-21(30)13-15-27(20,4)25(22)14-16-28(23,24)5/h8,18-19,21-25,30H,7,9-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
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| InChIKey |
LAJJCIGFDXFHKR-JDTILAPWSA-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