General Information of the Compound
| Compound ID |
CP0941817
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| Compound Name |
4-((N-(2-(Dimethylamino)ethyl)butyramido)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 |
C32H37N7O2
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| Molecular Weight |
551.695
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| Canonical SMILES |
CCCC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1
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| InChI |
InChI=1S/C32H37N7O2/c1-5-7-30(40)39(19-18-38(3)4)22-24-10-12-25(13-11-24)31(41)35-27-14-9-23(2)29(20-27)37-32-34-17-15-28(36-32)26-8-6-16-33-21-26/h6,8-17,20-21H,5,7,18-19,22H2,1-4H3,(H,35,41)(H,34,36,37)
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| InChIKey |
ZYFXERCMZDYZLV-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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