General Information of the Compound
| Compound ID |
CP0470897
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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-(3-chlorophenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C29H24BrCl2N7O
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| Molecular Weight |
637.369
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CC1)C(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C29H24BrCl2N7O/c30-21-10-8-20(9-11-21)28-24(17-38-19-33-18-34-38)27(35-39(28)26-7-2-1-6-25(26)32)29(40)37-14-12-36(13-15-37)23-5-3-4-22(31)16-23/h1-11,16,18-19H,12-15,17H2
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| InChIKey |
KYADEOHRGYKBSY-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