General Information of the Compound
| Compound ID |
CP0458197
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| Compound Name |
N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C26H31N7O2
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| Molecular Weight |
473.581
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)N2CCCC2)cc1
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| InChI |
InChI=1S/C26H31N7O2/c1-31-14-16-32(17-15-31)22-10-6-20(7-11-22)25(34)28-24-18-23(29-30-24)19-4-8-21(9-5-19)27-26(35)33-12-2-3-13-33/h4-11,18H,2-3,12-17H2,1H3,(H,27,35)(H2,28,29,30,34)
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| InChIKey |
OOOZWRINELDAHO-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