General Information of the Compound
| Compound ID |
CP0887765
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| Compound Name |
1-({[2-(1H-1,3-Benzodiazol-2-yl)ethyl]carbamoyl}methyl)-N-[(3-fluoropyridin-2-yl)methyl]-1H-pyrazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C21H22Cl2FN7O2
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| Molecular Weight |
494.358
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| Canonical SMILES |
Cl.Cl.O=C(Cn1cc(C(=O)NCc2ncccc2F)cn1)NCCc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C21H20FN7O2.2ClH/c22-15-4-3-8-23-18(15)11-25-21(31)14-10-26-29(12-14)13-20(30)24-9-7-19-27-16-5-1-2-6-17(16)28-19;;/h1-6,8,10,12H,7,9,11,13H2,(H,24,30)(H,25,31)(H,27,28);2*1H
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| InChIKey |
NEHJLXVQVOUWKM-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