General Information of the Compound
| Compound ID |
CP0438940
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| Compound Name |
3-(1-(N-((1r,4r)-4-tert-butylcyclohexyl)-4-(trifluoromethoxy)benzamido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
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| Formula |
C31H37F3N2O5
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| Molecular Weight |
574.64
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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)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H37F3N2O5/c1-30(2,3)22-8-10-23(11-9-22)36(29(40)19-4-12-24(13-5-19)41-31(32,33)34)26-15-7-20-18-21(6-14-25(20)26)28(39)35-17-16-27(37)38/h4-6,12-14,18,22-23,26H,7-11,15-17H2,1-3H3,(H,35,39)(H,37,38)/t22-,23-,26?
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| InChIKey |
PJAIAQSSPFZHJA-WBFAGQMUSA-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