General Information of the Compound
| Compound ID |
CP0372354
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| Compound Name |
N,N-dihexyl-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]octanamide
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| Structure |
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| Formula |
C39H69NO3
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| Molecular Weight |
599.985
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| Canonical SMILES |
CCCCCCN(CCCCCC)C(=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/C39H69NO3/c1-5-7-9-16-26-40(27-17-10-8-6-2)36(43)19-15-13-11-12-14-18-30-28-31-29-32(41)22-24-38(31,3)34-23-25-39(4)33(37(30)34)20-21-35(39)42/h30-31,33-35,37,42H,5-29H2,1-4H3/t30?,31-,33-,34-,35-,37-,38-,39-/m0/s1
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| InChIKey |
WQZAZXCMIFUPHJ-XJTMTCHISA-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