General Information of the Compound
| Compound ID |
CP0024012
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| Compound Name |
4-(Benzothiazol-6-ylamino)-6-(benzyl-isopropyl-amino)-[1,3,5]triazin-2-ol
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| Structure |
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| Formula |
C20H20N6OS
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| Molecular Weight |
392.488
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
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| InChI |
InChI=1S/C20H20N6OS/c1-13(2)26(11-14-6-4-3-5-7-14)19-23-18(24-20(27)25-19)22-15-8-9-16-17(10-15)28-12-21-16/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,25,27)
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| InChIKey |
AODUHZPEXFCKHF-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: PT01101, Insulin receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000749 | HUVEC-C | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 280 nM
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TI
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