General Information of the Compound
| Compound ID |
CP0234912
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| Compound Name |
N-(4-cyanophenyl)-5-cyclopropyl-3-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
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| Structure |
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| Formula |
C21H19N5O2
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| Molecular Weight |
373.416
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| Canonical SMILES |
COc1cccc(c1)-n1nnc(C2CC2)c1C(=O)N(C)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H19N5O2/c1-25(16-10-6-14(13-22)7-11-16)21(27)20-19(15-8-9-15)23-24-26(20)17-4-3-5-18(12-17)28-2/h3-7,10-12,15H,8-9H2,1-2H3
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| InChIKey |
OCPRKHMINMQDBA-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