General Information of the Compound
| Compound ID |
CP0540447
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| Compound Name |
methyl 3-[[3,3-diphenylpropyl(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C31H37N3O4
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| Molecular Weight |
515.654
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)N(CCCN2CCOCC2)CCC(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C31H37N3O4/c1-37-30(35)27-14-8-15-28(24-27)32-31(36)34(18-9-17-33-20-22-38-23-21-33)19-16-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-8,10-15,24,29H,9,16-23H2,1H3,(H,32,36)
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| InChIKey |
YVVHXAMYKKXSMW-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