General Information of the Compound
| Compound ID |
CP0874583
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| Compound Name |
1-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H21F4N7O
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| Molecular Weight |
475.45
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1cn(CCNCCc2nc3ccccc3[nH]2)nc1C(F)(F)F
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| InChI |
InChI=1S/C22H21F4N7O/c23-15-4-3-8-28-18(15)12-29-21(34)14-13-33(32-20(14)22(24,25)26)11-10-27-9-7-19-30-16-5-1-2-6-17(16)31-19/h1-6,8,13,27H,7,9-12H2,(H,29,34)(H,30,31)
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| InChIKey |
BOZDNFZRMHGMOX-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