General Information of the Compound
| Compound ID |
CP0517932
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| Compound Name |
US9187424, 191
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| Structure |
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| Formula |
C30H37N3O5
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| Molecular Weight |
519.642
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| Canonical SMILES |
CCCCCCC(=O)CNC(=O)C1(C)CC(=C(NC(=O)c2ccc(OC)cc2)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C30H37N3O5/c1-5-6-7-8-9-23(34)19-31-29(37)30(3)18-25(21-12-10-20(2)11-13-21)26(28(36)33-30)32-27(35)22-14-16-24(38-4)17-15-22/h10-17H,5-9,18-19H2,1-4H3,(H,31,37)(H,32,35)(H,33,36)
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| InChIKey |
ATILAADTSTUQKN-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