General Information of the Compound
| Compound ID |
CP0467764
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| Compound Name |
CHEMBL4218978
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| Formula |
C25H39NO3
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| Molecular Weight |
401.591
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| Canonical SMILES |
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CCC(C)(C)O3)CC2)cc1
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| InChI |
InChI=1S/C25H39NO3/c1-24(2)17-18-25(29-24)15-13-20(14-16-25)8-6-5-7-19-28-22-11-9-21(10-12-22)23(27)26(3)4/h9-12,20H,5-8,13-19H2,1-4H3/t20-,25+
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| InChIKey |
VUNHSYLAVCWIQR-IHRKKFBRSA-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