General Information of the Compound
| Compound ID |
CP0567740
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| Compound Name |
3-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C33H32F3N5O5
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| Molecular Weight |
635.643
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C33H32F3N5O5/c1-32(2,3)46-31(45)40-14-12-22(13-15-40)29(42)37-26-10-6-20(7-11-26)23-16-24(30(43)44)18-27(17-23)41-19-28(38-39-41)21-4-8-25(9-5-21)33(34,35)36/h4-11,16-19,22H,12-15H2,1-3H3,(H,37,42)(H,43,44)
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| InChIKey |
YYESJPAMTMHSLH-UHFFFAOYSA-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