General Information of the Compound
| Compound ID |
CP0579985
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| Compound Name |
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
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| Structure |
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| Formula |
C28H25N7O2
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| Molecular Weight |
491.555
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| Canonical SMILES |
Cc1cccc(CC(=O)Nc2cnn(c2)-c2cccc(c2)C(=O)NCc2ccccc2-n2cncn2)c1
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| InChI |
InChI=1S/C28H25N7O2/c1-20-6-4-7-21(12-20)13-27(36)33-24-16-31-34(17-24)25-10-5-9-22(14-25)28(37)30-15-23-8-2-3-11-26(23)35-19-29-18-32-35/h2-12,14,16-19H,13,15H2,1H3,(H,30,37)(H,33,36)
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| InChIKey |
HZIGCRSLUGEHCO-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