General Information of the Compound
| Compound ID |
CP0432100
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| Compound Name |
methyl 2-[[5-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C21H18N6O4S2
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| Molecular Weight |
482.547
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| Canonical SMILES |
COC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1
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| InChI |
InChI=1S/C21H18N6O4S2/c1-12-6-5-9-27-16(28)10-13(22-17(12)27)11-32-21-26-25-20(33-21)24-19(30)23-15-8-4-3-7-14(15)18(29)31-2/h3-10H,11H2,1-2H3,(H2,23,24,25,30)
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| InChIKey |
BHFMTZSTFQOTDV-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: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor