General Information of the Compound
| Compound ID |
CP0393098
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| Compound Name |
3-(1-(3-(3,5-bis(trifluoromethyl)phenyl)-1-((1r,4r)-4-tert-butylcyclohexyl)ureido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
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| Formula |
C32H37F6N3O4
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| Molecular Weight |
641.653
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H37F6N3O4/c1-30(2,3)20-6-8-24(9-7-20)41(29(45)40-23-16-21(31(33,34)35)15-22(17-23)32(36,37)38)26-11-5-18-14-19(4-10-25(18)26)28(44)39-13-12-27(42)43/h4,10,14-17,20,24,26H,5-9,11-13H2,1-3H3,(H,39,44)(H,40,45)(H,42,43)/t20-,24-,26?
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| InChIKey |
OPXLYXXPUMAKGR-SUMMSQPPSA-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