General Information of the Compound
| Compound ID |
CP0381228
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| Compound Name |
4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C26H28N8O2S
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| Molecular Weight |
516.631
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ncc(C)s2)cc1
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| InChI |
InChI=1S/C26H28N8O2S/c1-17-16-27-26(37-17)30-25(36)28-20-7-3-18(4-8-20)22-15-23(32-31-22)29-24(35)19-5-9-21(10-6-19)34-13-11-33(2)12-14-34/h3-10,15-16H,11-14H2,1-2H3,(H2,27,28,30,36)(H2,29,31,32,35)
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| InChIKey |
DGTDBYGGVLUJOO-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