General Information of the Compound
| Compound ID |
CP0905658
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| Compound Name |
3-({[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}methyl)-N-[(3-fluoropyridin-2-yl)methyl]-1-methyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
Cn1nc(CNCCc2nc3ccccc3[nH]2)cc1C(=O)NCc1ncccc1F
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| InChI |
InChI=1S/C21H22FN7O/c1-29-19(21(30)25-13-18-15(22)5-4-9-24-18)11-14(28-29)12-23-10-8-20-26-16-6-2-3-7-17(16)27-20/h2-7,9,11,23H,8,10,12-13H2,1H3,(H,25,30)(H,26,27)
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| InChIKey |
IHIZOMHRTYJFDJ-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