General Information of the Compound
| Compound ID |
CP0533463
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| Compound Name |
N-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C18H22ClN7S
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| Molecular Weight |
403.943
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| Canonical SMILES |
Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2cccnc2)ncn1
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| InChI |
InChI=1S/C18H21N7S.ClH/c1-2-24-6-8-25(9-7-24)17-10-16(21-13-22-17)23-18-20-12-15(26-18)14-4-3-5-19-11-14;/h3-5,10-13H,2,6-9H2,1H3,(H,20,21,22,23);1H
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| InChIKey |
YHPKLKCCQMBGON-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