General Information of the Compound
| Compound ID |
CP0954400
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| Compound Name |
N-(4-chlorophenyl)-4-cyclopropyl-1-(3-methoxyphenyl)-N-methyl-1H-1,2,3-triazole-5-carboxamide
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| Structure |
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| Formula |
C20H19ClN4O2
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| Molecular Weight |
382.851
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| Canonical SMILES |
COc1cccc(-n2nnc(C3CC3)c2C(=O)N(C)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C20H19ClN4O2/c1-24(15-10-8-14(21)9-11-15)20(26)19-18(13-6-7-13)22-23-25(19)16-4-3-5-17(12-16)27-2/h3-5,8-13H,6-7H2,1-2H3
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| InChIKey |
AGKYBJAEPMUCHJ-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