General Information of the Compound
| Compound ID |
CP0549763
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| Compound Name |
N-[2-[[4-chloro-2-(3,6-dimethyl-4-oxoquinazolin-8-yl)-1,3-benzothiazol-6-yl]oxy]ethyl]-4-(trifluoromethyl)benzenesulfonamide
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| Formula |
C26H20ClF3N4O4S2
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| Molecular Weight |
609.051
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| Canonical SMILES |
Cc1cc(-c2nc3c(Cl)cc(OCCNS(=O)(=O)c4ccc(cc4)C(F)(F)F)cc3s2)c2ncn(C)c(=O)c2c1
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| InChI |
InChI=1S/C26H20ClF3N4O4S2/c1-14-9-18(22-19(10-14)25(35)34(2)13-31-22)24-33-23-20(27)11-16(12-21(23)39-24)38-8-7-32-40(36,37)17-5-3-15(4-6-17)26(28,29)30/h3-6,9-13,32H,7-8H2,1-2H3
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| InChIKey |
ZAGSJYMRVRIQHG-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