General Information of the Compound
| Compound ID |
CP0862065
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| Compound Name |
N-(3-(3-(benzo[d]thiazol-6-yl)pentan-3-yl)-1H-indol-7-yl)methanesulfonamide
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| Structure |
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| Formula |
C21H23N3O2S2
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| Molecular Weight |
413.568
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| Canonical SMILES |
CCC(CC)(c1ccc2ncsc2c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
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| InChI |
InChI=1S/C21H23N3O2S2/c1-4-21(5-2,14-9-10-17-19(11-14)27-13-23-17)16-12-22-20-15(16)7-6-8-18(20)24-28(3,25)26/h6-13,22,24H,4-5H2,1-3H3
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| InChIKey |
VEDMXEFWUSKMSY-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