General Information of the Compound
| Compound ID |
CP0941150
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C20H23Cl3N6OS
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| Molecular Weight |
501.871
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ccncc1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H20N6OS.3ClH/c27-20(23-11-14-5-8-21-9-6-14)17-13-28-19(26-17)7-10-22-12-18-24-15-3-1-2-4-16(15)25-18;;;/h1-6,8-9,13,22H,7,10-12H2,(H,23,27)(H,24,25);3*1H
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| InChIKey |
IUQMWSWMAITNMI-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