General Information of the Compound
| Compound ID |
CP0378454
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| Compound Name |
N-butyl-11-[(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-methylundecanamide
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| Structure |
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| Formula |
C35H61NO3
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| Molecular Weight |
543.877
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| Canonical SMILES |
CCCCN(C)C(=O)CCCCCCCCCC[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/C35H61NO3/c1-5-6-23-36(4)32(39)16-14-12-10-8-7-9-11-13-15-26-24-27-25-28(37)19-21-34(27,2)30-20-22-35(3)29(33(26)30)17-18-31(35)38/h26-27,29-31,33,38H,5-25H2,1-4H3/t26-,27?,29+,30+,31+,33+,34+,35+/m1/s1
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| InChIKey |
MPTGUQKSZYVXOK-QXDYKJAWSA-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