General Information of the Compound
| Compound ID |
CP0471307
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| Compound Name |
3,6-dimethyl-8-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinazolin-4-one
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| Formula |
C17H17N3OS
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| Molecular Weight |
311.41
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| Canonical SMILES |
Cc1cc(-c2nc3CCCCc3s2)c2ncn(C)c(=O)c2c1
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| InChI |
InChI=1S/C17H17N3OS/c1-10-7-11(15-12(8-10)17(21)20(2)9-18-15)16-19-13-5-3-4-6-14(13)22-16/h7-9H,3-6H2,1-2H3
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| InChIKey |
KJDIBANYLSOXJO-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