General Information of the Compound
| Compound ID |
CP0153105
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| Compound Name |
N-benzyl-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methylamino]benzamide
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| Structure |
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| Formula |
C25H26N6O2
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| Molecular Weight |
442.523
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| Canonical SMILES |
COCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
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| InChI |
InChI=1S/C25H26N6O2/c1-33-15-14-31-23(29-30-24(31)20-10-12-26-13-11-20)18-27-22-9-5-8-21(16-22)25(32)28-17-19-6-3-2-4-7-19/h2-13,16,27H,14-15,17-18H2,1H3,(H,28,32)
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| InChIKey |
VPSTUMWWEPHXGY-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