General Information of the Compound
| Compound ID |
CP0442101
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| Compound Name |
benzyl 3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C36H39N3O4
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| Molecular Weight |
577.725
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)OCc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C36H39N3O4/c40-35(43-28-29-11-4-1-5-12-29)32-17-10-18-33(27-32)37-36(41)39(22-21-38-23-25-42-26-24-38)20-19-34(30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-18,27,34H,19-26,28H2,(H,37,41)
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| InChIKey |
XTTDEDUWWIJQHC-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