General Information of the Compound
| Compound ID |
CP0447562
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| Compound Name |
N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
CC(C)N(C)C(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
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| InChI |
InChI=1S/C19H21N5O/c1-13(2)23(4)19(25)16-9-7-15(8-10-16)18-14(3)24(22-21-18)17-6-5-11-20-12-17/h5-13H,1-4H3
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| InChIKey |
XIVCAVADNLDPSM-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