General Information of the Compound
| Compound ID |
CP0903748
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{5H,6H,7H-cyclopenta[b]pyridin-7-yl}-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C22H25Cl3N6OS
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| Molecular Weight |
527.909
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NC1CCc2cccnc21)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C22H22N6OS.3ClH/c29-22(28-17-8-7-14-4-3-10-24-21(14)17)18-13-30-20(27-18)9-11-23-12-19-25-15-5-1-2-6-16(15)26-19;;;/h1-6,10,13,17,23H,7-9,11-12H2,(H,25,26)(H,28,29);3*1H
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| InChIKey |
QKJLQSGUDDROTD-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