General Information of the Compound
| Compound ID |
CP0859051
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| Compound Name |
N-[4-(2-[6-(4-aminopiperidino)-2-methyl-4-pyrimidinyl]amino-1,3-thiazol-5-yl)phenyl]-N'-phenylurea
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| Structure |
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| Formula |
C26H28N8OS
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| Molecular Weight |
500.632
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| Canonical SMILES |
Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CCC(N)CC2)n1
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| InChI |
InChI=1S/C26H28N8OS/c1-17-29-23(15-24(30-17)34-13-11-19(27)12-14-34)33-26-28-16-22(36-26)18-7-9-21(10-8-18)32-25(35)31-20-5-3-2-4-6-20/h2-10,15-16,19H,11-14,27H2,1H3,(H2,31,32,35)(H,28,29,30,33)
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| InChIKey |
VFXYUDAAKURMHR-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: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2