General Information of the Compound
| Compound ID |
CP0492039
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| Compound Name |
N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C19H23ClFN7S
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| Molecular Weight |
435.96
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| Canonical SMILES |
Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCF)CC1
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| InChI |
InChI=1S/C19H22FN7S.ClH/c1-14-23-17(12-18(24-14)27-10-8-26(7-4-20)9-11-27)25-19-22-13-16(28-19)15-2-5-21-6-3-15;/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,22,23,24,25);1H
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| InChIKey |
RBOTWLCSDHOKLJ-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