General Information of the Compound
| Compound ID |
CP0459936
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| Compound Name |
N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C28H30N6O4S
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| Molecular Weight |
546.653
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
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| InChI |
InChI=1S/C28H30N6O4S/c1-33-14-16-34(17-15-33)23-8-6-20(7-9-23)28(35)29-27-19-26(30-31-27)21-4-3-5-22(18-21)32-39(36,37)25-12-10-24(38-2)11-13-25/h3-13,18-19,32H,14-17H2,1-2H3,(H2,29,30,31,35)
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| InChIKey |
FGVXLCXWOUOYDG-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: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2