General Information of the Compound
| Compound ID |
CP0455610
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| Compound Name |
N-[3-[3-[(2-chloro-6-fluorophenyl)methylamino]-1H-1,2,4-triazol-5-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C18H15ClFN5O
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| Molecular Weight |
371.803
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| Canonical SMILES |
Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C18H15ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h2-9H,1,10H2,(H,22,26)(H2,21,23,24,25)
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| InChIKey |
YFVRNHCFDWIILZ-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