General Information of the Compound
| Compound ID |
CP0454236
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| Compound Name |
N-[4-[8-(dimethylamino)-5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C30H29N3O2S
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| Molecular Weight |
495.648
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| Canonical SMILES |
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
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| InChI |
InChI=1S/C30H29N3O2S/c1-32(2)26-13-8-19-33(27-18-20-36-28(26)27)30(35)22-14-16-23(17-15-22)31-29(34)25-12-7-6-11-24(25)21-9-4-3-5-10-21/h3-7,9-12,14-18,20,26H,8,13,19H2,1-2H3,(H,31,34)
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| InChIKey |
WILNJBJZWIOTDZ-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