General Information of the Compound
| Compound ID |
CP0492040
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| Compound Name |
2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride
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| Structure |
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| Formula |
C19H24ClN7OS
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| Molecular Weight |
433.969
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| Canonical SMILES |
Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C19H23N7OS.ClH/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15;/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24);1H
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| InChIKey |
KGIPYQFAIDQBKC-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