General Information of the Compound
| Compound ID |
CP0540452
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| Compound Name |
methyl 3-[[3,3-diphenylpropyl(2-methylpropyl)carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C28H32N2O3
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| Molecular Weight |
444.575
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)c1
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| InChI |
InChI=1S/C28H32N2O3/c1-21(2)20-30(28(32)29-25-16-10-15-24(19-25)27(31)33-3)18-17-26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-16,19,21,26H,17-18,20H2,1-3H3,(H,29,32)
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| InChIKey |
QNSWKJATUSNBHG-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