General Information of the Compound
| Compound ID |
CP0534399
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| Compound Name |
2-[(5-bromo-1H-indol-3-yl)sulfanyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
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| Formula |
C17H13BrCl2N2OS
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| Molecular Weight |
444.181
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| Canonical SMILES |
Clc1ccc(CNC(=O)CSc2c[nH]c3ccc(Br)cc23)cc1Cl
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| InChI |
InChI=1S/C17H13BrCl2N2OS/c18-11-2-4-15-12(6-11)16(8-21-15)24-9-17(23)22-7-10-1-3-13(19)14(20)5-10/h1-6,8,21H,7,9H2,(H,22,23)
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| InChIKey |
GOSIAGRSMKNKPR-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