General Information of the Compound
| Compound ID |
CP0515899
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| Compound Name |
8-[(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl]-N-methyloctanamide
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| Structure |
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| Formula |
C28H47NO3
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| Molecular Weight |
445.688
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| Canonical SMILES |
CNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
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| InChI |
InChI=1S/C28H47NO3/c1-27-15-13-21(30)18-20(27)17-19(9-7-5-4-6-8-10-25(32)29-3)26-22-11-12-24(31)28(22,2)16-14-23(26)27/h19-20,22-24,26,31H,4-18H2,1-3H3,(H,29,32)/t19?,20-,22-,23-,24-,26-,27-,28-/m0/s1
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| InChIKey |
CXUSCSFPEJRLOW-MVEHLLDSSA-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