General Information of the Compound
| Compound ID |
CP0903130
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| Compound Name |
1-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1H-pyrazole-4-carboxamide tetrahydrochloride
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| Structure |
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| Formula |
C21H26Cl4FN7O
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| Molecular Weight |
553.297
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| Canonical SMILES |
Cl.Cl.Cl.Cl.O=C(NCc1ncccc1F)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C21H22FN7O.4ClH/c22-16-4-3-8-24-19(16)13-25-21(30)15-12-26-29(14-15)11-10-23-9-7-20-27-17-5-1-2-6-18(17)28-20;;;;/h1-6,8,12,14,23H,7,9-11,13H2,(H,25,30)(H,27,28);4*1H
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| InChIKey |
XXHYTJOKRUPNFX-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