General Information of the Compound
| Compound ID |
CP0438941
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| Compound Name |
3-(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-2-(4-(trifluoromethoxy)phenyl)acetamido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
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| Formula |
C32H39F3N2O5
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| Molecular Weight |
588.667
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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)Cc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C32H39F3N2O5/c1-31(2,3)23-8-10-24(11-9-23)37(28(38)18-20-4-12-25(13-5-20)42-32(33,34)35)27-15-7-21-19-22(6-14-26(21)27)30(41)36-17-16-29(39)40/h4-6,12-14,19,23-24,27H,7-11,15-18H2,1-3H3,(H,36,41)(H,39,40)/t23-,24-,27?
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| InChIKey |
YXRLENJRMMVUDH-OOZDBRQBSA-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