General Information of the Compound
| Compound ID |
CP0442473
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| Compound Name |
3-(1-(1-(cis-4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
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| Formula |
C31H38F3N3O5
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| Molecular Weight |
589.655
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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)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H38F3N3O5/c1-30(2,3)21-6-10-23(11-7-21)37(29(41)36-22-8-12-24(13-9-22)42-31(32,33)34)26-15-5-19-18-20(4-14-25(19)26)28(40)35-17-16-27(38)39/h4,8-9,12-14,18,21,23,26H,5-7,10-11,15-17H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t21-,23+,26?
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| InChIKey |
KNMAVSXEMFMOGI-VSGCBGRSSA-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