General Information of the Compound
| Compound ID |
CP0533434
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| Compound Name |
1-[5-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C20H15F3N6O2S2
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| Molecular Weight |
492.508
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| Canonical SMILES |
Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3cccc(c3)C(F)(F)F)s1)cc2=O
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| InChI |
InChI=1S/C20H15F3N6O2S2/c1-11-5-6-29-15(7-11)24-14(9-16(29)30)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(8-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31)
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| InChIKey |
KAJGNCNYCJWWPK-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