General Information of the Compound
| Compound ID |
CP0506308
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| Compound Name |
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-N-(1-(2,4-dichlorophenyl)ethyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H20BrCl3N6O
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| Molecular Weight |
630.761
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| Canonical SMILES |
Cc1cc(Cl)cc(Cl)c1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H20BrCl3N6O/c1-16-10-19(29)11-23(31)20(16)12-33-27(38)25-21(13-36-15-32-14-34-36)26(17-6-8-18(28)9-7-17)37(35-25)24-5-3-2-4-22(24)30/h2-11,14-15H,12-13H2,1H3,(H,33,38)
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| InChIKey |
QYYFMQJVAPUDKF-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