General Information of the Compound
| Compound ID |
CP0254262
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| Compound Name |
3-(4-((2-chloro-N-(3,3-diphenylpropyl)nicotinamido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C32H30ClN3O4
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| Molecular Weight |
556.062
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccc(Cl)nc2)cc1
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| InChI |
InChI=1S/C32H30ClN3O4/c33-29-16-15-27(21-35-29)32(40)36(22-23-11-13-26(14-12-23)31(39)34-19-17-30(37)38)20-18-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-16,21,28H,17-20,22H2,(H,34,39)(H,37,38)
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| InChIKey |
YZMJQNHITATPJD-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