General Information of the Compound
| Compound ID |
CP0007714
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| Compound Name |
4-amino-N-[3-methyl-1-[(6-methylpyridin-2-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C22H19N7OS
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| Molecular Weight |
429.509
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| Canonical SMILES |
Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
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| InChI |
InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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| InChIKey |
KZVIZFHCMVWFNT-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: PT00883, Angiopoietin-1 receptor
Protein ID: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01465, Maternal embryonic leucine zipper kinase
Protein ID: PT01116, RAF proto-oncogene serine/threonine-protein kinase
Protein ID: PT00864, Vascular endothelial growth factor receptor 2