General Information of the Compound
| Compound ID |
CP0880279
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| Compound Name |
1-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H19F4N7O
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| Molecular Weight |
461.423
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1cn(CCNCc2nc3ccccc3[nH]2)nc1C(F)(F)F
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| InChI |
InChI=1S/C21H19F4N7O/c22-14-4-3-7-27-17(14)10-28-20(33)13-12-32(31-19(13)21(23,24)25)9-8-26-11-18-29-15-5-1-2-6-16(15)30-18/h1-7,12,26H,8-11H2,(H,28,33)(H,29,30)
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| InChIKey |
SXPQKIXFYSQBCV-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
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1