General Information of the Compound
| Compound ID |
CP0232310
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| Compound Name |
2-morpholin-4-ylethyl N-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]carbamate
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| Structure |
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| Formula |
C25H22FN7O3S2
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| Molecular Weight |
551.629
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2nnc(Sc3ccc4nc(NC(=O)OCCN5CCOCC5)sc4c3)n2n1
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| InChI |
InChI=1S/C25H22FN7O3S2/c26-17-3-1-16(2-4-17)19-7-8-22-29-30-24(33(22)31-19)37-18-5-6-20-21(15-18)38-23(27-20)28-25(34)36-14-11-32-9-12-35-13-10-32/h1-8,15H,9-14H2,(H,27,28,34)
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| InChIKey |
DTPZUUXRZNQTOC-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: PT01201, Hepatocyte growth factor receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000413 | MKN45 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 95 nM
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