General Information of the Compound
| Compound ID |
CP0909893
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| Compound Name |
2-(2-{[2-(1H-1,3-benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(5-methylpyrimidin-2-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C21H26Cl3N7OS
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| Molecular Weight |
530.913
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| Canonical SMILES |
Cc1cnc(CNC(=O)c2csc(CCNCCc3nc4ccccc4[nH]3)n2)nc1.Cl.Cl.Cl
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| InChI |
InChI=1S/C21H23N7OS.3ClH/c1-14-10-23-19(24-11-14)12-25-21(29)17-13-30-20(28-17)7-9-22-8-6-18-26-15-4-2-3-5-16(15)27-18;;;/h2-5,10-11,13,22H,6-9,12H2,1H3,(H,25,29)(H,26,27);3*1H
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| InChIKey |
CEINYMVFMALXDA-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