General Information of the Compound
| Compound ID |
CP0902838
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| Compound Name |
N-(4-((4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)nicotinamide
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| Structure |
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| Formula |
C30H25N7O2
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| Molecular Weight |
515.577
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CNC(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1
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| InChI |
InChI=1S/C30H25N7O2/c1-20-6-11-25(16-27(20)37-30-33-15-12-26(36-30)23-4-2-13-31-18-23)35-29(39)22-9-7-21(8-10-22)17-34-28(38)24-5-3-14-32-19-24/h2-16,18-19H,17H2,1H3,(H,34,38)(H,35,39)(H,33,36,37)
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| InChIKey |
NJGXLXQVDYUOTR-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 = 1120 nM
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TI
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LO
TS
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