General Information of the Compound
| Compound ID |
CP0874593
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C20H24Cl3N7OS
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| Molecular Weight |
516.886
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ncccn1)c1csc(CCNCCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H21N7OS.3ClH/c28-20(24-12-18-22-8-3-9-23-18)16-13-29-19(27-16)7-11-21-10-6-17-25-14-4-1-2-5-15(14)26-17;;;/h1-5,8-9,13,21H,6-7,10-12H2,(H,24,28)(H,25,26);3*1H
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| InChIKey |
BMNAENMSXQWFKH-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