General Information of the Compound
| Compound ID |
CP0436929
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| Compound Name |
4-((3-(1-(4-chlorophenyl)ethyl)-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
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| Structure |
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| Formula |
C27H21ClF3N7O2
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| Molecular Weight |
567.959
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| Canonical SMILES |
CC(c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)n1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H21ClF3N7O2/c1-16(18-6-10-21(28)11-7-18)23-14-24(19-8-12-22(13-9-19)40-27(29,30)31)38(35-23)15-17-2-4-20(5-3-17)25(39)32-26-33-36-37-34-26/h2-14,16H,15H2,1H3,(H2,32,33,34,36,37,39)
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| InChIKey |
LOWIAACKVUYBBV-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