General Information of the Compound
| Compound ID |
CP0470772
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| Compound Name |
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C19H24ClN7S
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| Molecular Weight |
417.97
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| Canonical SMILES |
Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccn2)nc(C)n1
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| InChI |
InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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| InChIKey |
MDVIIVYJQQRGNX-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