General Information of the Compound
| Compound ID |
CP0434494
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| Compound Name |
N-butyl-10-[(7R,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-methyldecanamide
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| Structure |
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| Formula |
C34H59NO3
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| Molecular Weight |
529.85
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| Canonical SMILES |
CCCCN(C)C(=O)CCCCCCCCC[C@@H]1CC2CC(=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/C34H59NO3/c1-5-6-22-35(4)31(38)15-13-11-9-7-8-10-12-14-25-23-26-24-27(36)18-20-33(26,2)29-19-21-34(3)28(32(25)29)16-17-30(34)37/h25-26,28-30,32,37H,5-24H2,1-4H3/t25-,26?,28+,29+,30+,32+,33+,34+/m1/s1
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| InChIKey |
VCVCYJUYTCAJNM-OJGVHFQISA-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