General Information of the Compound
Compound ID |
CP0372032
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Compound Name |
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-N-(1-(4-chlorophenyl)cyclopropyl)-1H-pyrazole-3-carboxamide
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Structure |
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Formula |
C28H21BrCl2N6O
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Molecular Weight |
608.327
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Canonical SMILES |
Clc1ccc(cc1)C1(CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
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InChI |
InChI=1S/C28H21BrCl2N6O/c29-20-9-5-18(6-10-20)26-22(15-36-17-32-16-33-36)25(35-37(26)24-4-2-1-3-23(24)31)27(38)34-28(13-14-28)19-7-11-21(30)12-8-19/h1-12,16-17H,13-15H2,(H,34,38)
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InChIKey |
LLNDRRLKXBGLNH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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