General Information of the Compound
| Compound ID |
CP0540446
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| Compound Name |
3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]benzoic acid
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| Structure |
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
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| InChI |
InChI=1S/C29H33N3O4/c33-28(34)25-12-7-13-26(22-25)30-29(35)32(17-16-31-18-20-36-21-19-31)15-14-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,22,27H,14-21H2,(H,30,35)(H,33,34)
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| InChIKey |
OLYPDRDSGDIZAO-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