General Information of the Compound
| Compound ID |
CP0572638
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| Compound Name |
N,N-dibenzyl-2-[(4-bromo-1H-indol-3-yl)sulfanyl]acetamide
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| Formula |
C24H21BrN2OS
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| Molecular Weight |
465.416
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| Canonical SMILES |
Brc1cccc2[nH]cc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)c12
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| InChI |
InChI=1S/C24H21BrN2OS/c25-20-12-7-13-21-24(20)22(14-26-21)29-17-23(28)27(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,26H,15-17H2
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| InChIKey |
YSBHATAWWDVERR-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