General Information of the Compound
| Compound ID |
CP0903755
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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-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C20H21FN8O
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| Molecular Weight |
408.441
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1ncn(CCNCCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H21FN8O/c21-14-4-3-8-23-17(14)12-24-20(30)19-25-13-29(28-19)11-10-22-9-7-18-26-15-5-1-2-6-16(15)27-18/h1-6,8,13,22H,7,9-12H2,(H,24,30)(H,26,27)
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| InChIKey |
NLDGHAFVLSDUJW-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