General Information of the Compound
| Compound ID |
CP0903134
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| Compound Name |
1-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
O=C(NCc1ccccn1)c1cnn(CCNCc2nc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C20H21N7O/c28-20(23-12-16-5-3-4-8-22-16)15-11-24-27(14-15)10-9-21-13-19-25-17-6-1-2-7-18(17)26-19/h1-8,11,14,21H,9-10,12-13H2,(H,23,28)(H,25,26)
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| InChIKey |
TXGFLFLQOYQXPH-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