General Information of the Compound
| Compound ID |
CP0516127
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| Compound Name |
N-[4-[8-(dimethylamino)-5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl]phenyl]-2-methylbenzamide
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| Structure |
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| Formula |
C25H27N3O2S
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| Molecular Weight |
433.577
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| Canonical SMILES |
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccsc12
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| InChI |
InChI=1S/C25H27N3O2S/c1-17-7-4-5-8-20(17)24(29)26-19-12-10-18(11-13-19)25(30)28-15-6-9-21(27(2)3)23-22(28)14-16-31-23/h4-5,7-8,10-14,16,21H,6,9,15H2,1-3H3,(H,26,29)
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| InChIKey |
OEFAJMDMCVQKRS-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