General Information of the Compound
| Compound ID |
CP0497047
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| Compound Name |
N-[3-cyano-6-[(2,4-dichlorophenyl)methyl-propan-2-ylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
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| Structure |
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| Formula |
C25H31Cl2N3OS
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| Molecular Weight |
492.516
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| Canonical SMILES |
CCC(CC)C(=O)Nc1sc2CC(CCc2c1C#N)N(Cc1ccc(Cl)cc1Cl)C(C)C
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| InChI |
InChI=1S/C25H31Cl2N3OS/c1-5-16(6-2)24(31)29-25-21(13-28)20-10-9-19(12-23(20)32-25)30(15(3)4)14-17-7-8-18(26)11-22(17)27/h7-8,11,15-16,19H,5-6,9-10,12,14H2,1-4H3,(H,29,31)
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| InChIKey |
LBUDISJZPKCKEP-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