General Information of the Compound
| Compound ID |
CP0396775
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| Compound Name |
N-[5-[3-[(4-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C28H30N6O3S
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| Molecular Weight |
530.654
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C28H30N6O3S/c1-20-6-12-25(13-7-20)38(36,37)32-23-5-3-4-22(18-23)26-19-27(31-30-26)29-28(35)21-8-10-24(11-9-21)34-16-14-33(2)15-17-34/h3-13,18-19,32H,14-17H2,1-2H3,(H2,29,30,31,35)
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| InChIKey |
VVCHAUHKIVIULZ-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: 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