General Information of the Compound
| Compound ID |
CP0903126
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| Compound Name |
1-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H24FN7O
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| Molecular Weight |
421.48
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| Canonical SMILES |
Cc1nn(CCNCc2nc3ccccc3[nH]2)c(C)c1C(=O)NCc1ncccc1F
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| InChI |
InChI=1S/C22H24FN7O/c1-14-21(22(31)26-12-19-16(23)6-5-9-25-19)15(2)30(29-14)11-10-24-13-20-27-17-7-3-4-8-18(17)28-20/h3-9,24H,10-13H2,1-2H3,(H,26,31)(H,27,28)
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| InChIKey |
MRBVSVMDYWBAOK-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