General Information of the Compound
Compound ID |
CP0400688
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Compound Name |
N-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
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Structure |
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Formula |
C17H21Cl2N5O2
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Molecular Weight |
398.294
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Canonical SMILES |
CC(=O)N(CCN1CCOCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
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InChI |
InChI=1S/C17H21Cl2N5O2/c1-13(25)24(5-4-22-6-8-26-9-7-22)17-12-23(21-20-17)11-14-2-3-15(18)16(19)10-14/h2-3,10,12H,4-9,11H2,1H3
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InChIKey |
VKKFDQQGRQVELU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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