General Information of the Compound
| Compound ID |
CP0522212
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| Compound Name |
US9163012, 14
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| Structure |
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| Formula |
C27H37NO5
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| Molecular Weight |
455.595
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccccc2OC)CCCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C27H37NO5/c1-3-32-25(29)27(16-20-7-4-5-8-23(20)31-2)9-6-10-28(17-27)26(30)33-24-21-12-18-11-19(14-21)15-22(24)13-18/h4-5,7-8,18-19,21-22,24H,3,6,9-17H2,1-2H3
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| InChIKey |
IOMQVEVLQZBHEU-UHFFFAOYSA-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