General Information of the Compound
| Compound ID |
CP0333718
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| Compound Name |
5-(2-chlorophenyl)-4-(4,5-dihydrothieno[3,2-d][1]benzoxepin-2-yl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C21H15ClN2OS2
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| Molecular Weight |
410.951
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| Canonical SMILES |
Nc1nc(-c2cc3CCOc4ccccc4-c3s2)c(s1)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H15ClN2OS2/c22-15-7-3-1-5-13(15)20-18(24-21(23)27-20)17-11-12-9-10-25-16-8-4-2-6-14(16)19(12)26-17/h1-8,11H,9-10H2,(H2,23,24)
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| InChIKey |
CQGQYJNSZWNZBN-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