General Information of the Compound
| Compound ID |
CP0874595
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C19H21N7OS
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| Molecular Weight |
395.492
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| Canonical SMILES |
Cn1ccc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)n1
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| InChI |
InChI=1S/C19H21N7OS/c1-26-9-7-13(25-26)10-21-19(27)16-12-28-18(24-16)6-8-20-11-17-22-14-4-2-3-5-15(14)23-17/h2-5,7,9,12,20H,6,8,10-11H2,1H3,(H,21,27)(H,22,23)
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| InChIKey |
JRAMDZJYOVJHNL-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