General Information of the Compound
| Compound ID |
CP0372029
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| Compound Name |
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)(4-(2,3-dichlorophenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C29H23BrCl3N7O
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| Molecular Weight |
671.814
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| Canonical SMILES |
Clc1cccc(N2CCN(CC2)C(=O)c2nn(c(c2Cn2cncn2)-c2ccc(Br)cc2)-c2ccccc2Cl)c1Cl
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| InChI |
InChI=1S/C29H23BrCl3N7O/c30-20-10-8-19(9-11-20)28-21(16-39-18-34-17-35-39)27(36-40(28)24-6-2-1-4-22(24)31)29(41)38-14-12-37(13-15-38)25-7-3-5-23(32)26(25)33/h1-11,17-18H,12-16H2
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| InChIKey |
GRMXQYWFTJWKRA-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