General Information of the Compound
| Compound ID |
CP0204560
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| Compound Name |
3-[[3-(2-methoxyethoxy)quinolin-6-yl]methyl]-5-thiophen-2-yltriazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C22H19N5O3S
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| Molecular Weight |
433.493
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| Canonical SMILES |
COCCOc1cnc2ccc(Cn3nnc4ccn(-c5cccs5)c(=O)c34)cc2c1
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| InChI |
InChI=1S/C22H19N5O3S/c1-29-8-9-30-17-12-16-11-15(4-5-18(16)23-13-17)14-27-21-19(24-25-27)6-7-26(22(21)28)20-3-2-10-31-20/h2-7,10-13H,8-9,14H2,1H3
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| InChIKey |
FDSDLKQVKLJTNN-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