General Information of the Compound
| Compound ID |
CP0297397
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| Compound Name |
N-(1H-pyrazol-4-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]pyridin-2-amine
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| Structure |
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| Formula |
C18H14F3N7
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| Molecular Weight |
385.353
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1nnc([nH]1)-c1cccnc1NCc1cn[nH]c1
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| InChI |
InChI=1S/C18H14F3N7/c19-18(20,21)13-4-1-3-12(7-13)15-26-17(28-27-15)14-5-2-6-22-16(14)23-8-11-9-24-25-10-11/h1-7,9-10H,8H2,(H,22,23)(H,24,25)(H,26,27,28)
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| InChIKey |
DDNYJQBAUGAKMO-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