General Information of the Compound
| Compound ID |
CP0381234
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| Compound Name |
4-[(4-methylpiperazin-1-yl)methyl]-N-[5-[4-[(phenylcarbamoylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C30H33N7O2
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| Molecular Weight |
523.641
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C30H33N7O2/c1-36-15-17-37(18-16-36)21-23-9-13-25(14-10-23)29(38)33-28-19-27(34-35-28)24-11-7-22(8-12-24)20-31-30(39)32-26-5-3-2-4-6-26/h2-14,19H,15-18,20-21H2,1H3,(H2,31,32,39)(H2,33,34,35,38)
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| InChIKey |
RPUVCLOEZQLZPD-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