General Information of the Compound
| Compound ID |
CP0551164
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| Compound Name |
8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethylquinazolin-4-one
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| Formula |
C18H14ClN3O2S
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| Molecular Weight |
371.849
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| Canonical SMILES |
COc1cc(Cl)c2nc(sc2c1)-c1cc(C)cc2c1ncn(C)c2=O
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| InChI |
InChI=1S/C18H14ClN3O2S/c1-9-4-11(15-12(5-9)18(23)22(2)8-20-15)17-21-16-13(19)6-10(24-3)7-14(16)25-17/h4-8H,1-3H3
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| InChIKey |
KBPDHFGQIXJXCU-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: PT01871, Proteinase-activated receptor 1
Protein ID: PT04124, Proteinase-activated receptor 2
Protein ID: PT04808, Proteinase-activated receptor 4