General Information of the Compound
| Compound ID |
CP0499372
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| Compound Name |
3-[[4-[[3-(3,5-dichlorophenyl)-5-naphthalen-2-ylpyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H23Cl2N3O3
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| Molecular Weight |
544.438
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3ccccc3c2)-c2cc(Cl)cc(Cl)c2)cc1
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| InChI |
InChI=1S/C30H23Cl2N3O3/c31-25-14-24(15-26(32)16-25)27-17-28(23-10-9-20-3-1-2-4-22(20)13-23)35(34-27)18-19-5-7-21(8-6-19)30(38)33-12-11-29(36)37/h1-10,13-17H,11-12,18H2,(H,33,38)(H,36,37)
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| InChIKey |
ZESAQYDJDZHJFL-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
Protein ID: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor