General Information of the Compound
| Compound ID |
CP0573183
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| Compound Name |
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(1H-indol-3-ylsulfanyl)acetamide
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| Formula |
C21H25N3O2S
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| Molecular Weight |
383.517
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| Canonical SMILES |
CN(C)CCOc1ccc(CNC(=O)CSc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C21H25N3O2S/c1-24(2)11-12-26-17-9-7-16(8-10-17)13-23-21(25)15-27-20-14-22-19-6-4-3-5-18(19)20/h3-10,14,22H,11-13,15H2,1-2H3,(H,23,25)
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| InChIKey |
KMVGELVYJSQGCG-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