General Information of the Compound
| Compound ID |
CP0375605
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| Compound Name |
2-[2-(3-methylphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
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| Structure |
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| Formula |
C15H12N2OS
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| Molecular Weight |
268.341
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| Canonical SMILES |
Cc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
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| InChI |
InChI=1S/C15H12N2OS/c1-10-3-2-4-11(9-10)5-6-13-17-12-7-8-16-15(18)14(12)19-13/h2-4,9H,7-8H2,1H3,(H,16,18)
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| InChIKey |
SGJUSVUONBMZDQ-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