General Information of the Compound
| Compound ID |
CP0440251
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| Compound Name |
N-[5-[[4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide
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| Structure |
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| Formula |
C18H22ClN3O2S3
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| Molecular Weight |
444.047
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)-c1csc(NCCCCCNS(C)(=O)=O)n1
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| InChI |
InChI=1S/C18H22ClN3O2S3/c1-12-14-10-13(19)6-7-16(14)26-17(12)15-11-25-18(22-15)20-8-4-3-5-9-21-27(2,23)24/h6-7,10-11,21H,3-5,8-9H2,1-2H3,(H,20,22)
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| InChIKey |
LUUCATYSMMCMJX-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