General Information of the Compound
| Compound ID |
CP0891169
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| Compound Name |
4-((N-(2-(Dimethylamino)ethyl)acrylamido)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 |
C31H33N7O2
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| Molecular Weight |
535.652
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| Canonical SMILES |
C=CC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1
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| InChI |
InChI=1S/C31H33N7O2/c1-5-29(39)38(18-17-37(3)4)21-23-9-11-24(12-10-23)30(40)34-26-13-8-22(2)28(19-26)36-31-33-16-14-27(35-31)25-7-6-15-32-20-25/h5-16,19-20H,1,17-18,21H2,2-4H3,(H,34,40)(H,33,35,36)
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| InChIKey |
RLPJZHPKHWGFAV-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