General Information of the Compound
| Compound ID |
CP0398717
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-N,2,6-trimethylfuro[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C16H15N3O3
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| Molecular Weight |
297.314
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| Canonical SMILES |
CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
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| InChI |
InChI=1S/C16H15N3O3/c1-9-6-12-15(17-10(2)18-16(12)22-9)19(3)11-4-5-13-14(7-11)21-8-20-13/h4-7H,8H2,1-3H3
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| InChIKey |
MLNZPKUVAATQRY-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: PT00922, Epidermal growth factor receptor
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 | |
| CL000052 | A-431 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 48.9 nM
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