General Information of the Compound
| Compound ID |
CP0397402
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| Compound Name |
4-(2-morpholin-4-ylethoxy)-N-[5-[4-[(phenylcarbamoylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C30H32N6O4
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| Molecular Weight |
540.624
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| Canonical SMILES |
O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)Nc1ccccc1
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| InChI |
InChI=1S/C30H32N6O4/c37-29(24-10-12-26(13-11-24)40-19-16-36-14-17-39-18-15-36)33-28-20-27(34-35-28)23-8-6-22(7-9-23)21-31-30(38)32-25-4-2-1-3-5-25/h1-13,20H,14-19,21H2,(H2,31,32,38)(H2,33,34,35,37)
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| InChIKey |
KABXDGRHTDMABC-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