General Information of the Compound
| Compound ID |
CP0445332
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| Compound Name |
3-[[4-[(1S)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H27ClF3N3O4
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| Molecular Weight |
622.043
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C33H27ClF3N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-12-11-31(41)42)40-30(24-8-7-23-16-28(44-2)10-9-22(23)13-24)18-29(39-40)25-14-26(33(35,36)37)17-27(34)15-25/h3-10,13-19H,11-12H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1
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| InChIKey |
QHYLLMYQPXZQNA-IBGZPJMESA-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
Protein ID: PT01356, Glucagon-like peptide 1 receptor
Protein ID: PT04077, Vasoactive intestinal polypeptide receptor 2