General Information of the Compound
| Compound ID |
CP0957275
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| Compound Name |
(Z)-3-(5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)-N-methyl-N-phenylacrylamide
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| Structure |
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| Formula |
C18H15ClN4O
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| Molecular Weight |
338.798
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| Canonical SMILES |
CN(C(=O)/C=C\c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccccc1
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| InChI |
InChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)17(24)11-10-16-20-18(22-21-16)13-6-5-7-14(19)12-13/h2-12H,1H3,(H,20,21,22)/b11-10-
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| InChIKey |
TYERJYCMQKILHA-KHPPLWFESA-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