General Information of the Compound
| Compound ID |
CP0883780
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| Compound Name |
4-(((2-(Dimethylamino)ethyl)amino)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
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| Structure |
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| Formula |
C28H31N7O
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| Molecular Weight |
481.604
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CNCCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1
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| InChI |
InChI=1S/C28H31N7O/c1-20-6-11-24(32-27(36)22-9-7-21(8-10-22)18-30-15-16-35(2)3)17-26(20)34-28-31-14-12-25(33-28)23-5-4-13-29-19-23/h4-14,17,19,30H,15-16,18H2,1-3H3,(H,32,36)(H,31,33,34)
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| InChIKey |
LCBDRYZAACISLQ-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 > 10000 nM
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TI
LI
LO
TS
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