General Information of the Compound
| Compound ID |
CP0426155
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| Compound Name |
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-(2-methylpyridin-4-yl)-1,3-thiazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C20H26ClN7S
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| Molecular Weight |
431.997
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| Canonical SMILES |
Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccnc(C)c2)nc(C)n1
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| InChI |
InChI=1S/C20H25N7S.ClH/c1-4-26-7-9-27(10-8-26)19-12-18(23-15(3)24-19)25-20-22-13-17(28-20)16-5-6-21-14(2)11-16;/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23,24,25);1H
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| InChIKey |
ACHMTQBTMFXRRX-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3