General Information of the Compound
| Compound ID |
CP0436480
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| Compound Name |
N-[6-[benzyl(methyl)amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
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| Structure |
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| Formula |
C23H29N3OS
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| Molecular Weight |
395.572
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| Canonical SMILES |
CCC(CC)C(=O)Nc1sc2CC(CCc2c1C#N)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C23H29N3OS/c1-4-17(5-2)22(27)25-23-20(14-24)19-12-11-18(13-21(19)28-23)26(3)15-16-9-7-6-8-10-16/h6-10,17-18H,4-5,11-13,15H2,1-3H3,(H,25,27)
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| InChIKey |
IAEIWFWSTSEVDS-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