General Information of the Compound
| Compound ID |
CP0519382
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| Compound Name |
1-[[2-(azepan-1-yl)-6-chloro-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C19H21ClN4O2S
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| Molecular Weight |
404.923
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCCCCC1)C(O)=O
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| InChI |
InChI=1S/C19H21ClN4O2S/c1-12-8-15(18(25)26)22-24(12)11-13-9-14(20)10-16-17(13)21-19(27-16)23-6-4-2-3-5-7-23/h8-10H,2-7,11H2,1H3,(H,25,26)
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| InChIKey |
GGVIPWZFXUAGPT-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