General Information of the Compound
| Compound ID |
CP0308356
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| Compound Name |
N-[(2-chlorophenyl)methyl]-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
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| Structure |
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| Formula |
C23H21ClN6O
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| Molecular Weight |
432.915
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| Canonical SMILES |
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1
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| InChI |
InChI=1S/C23H21ClN6O/c1-30-21(28-29-22(30)16-9-11-25-12-10-16)15-26-19-7-4-6-17(13-19)23(31)27-14-18-5-2-3-8-20(18)24/h2-13,26H,14-15H2,1H3,(H,27,31)
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| InChIKey |
YOIYNIHWWQRUEK-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