General Information of the Compound
| Compound ID |
CP0559182
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| Compound Name |
1-[[6-chloro-2-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C20H21ClN4O2S
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| Molecular Weight |
416.934
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCC(C)=C(C)C1)C(O)=O
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| InChI |
InChI=1S/C20H21ClN4O2S/c1-11-4-5-24(9-12(11)2)20-22-18-14(7-15(21)8-17(18)28-20)10-25-13(3)6-16(23-25)19(26)27/h6-8H,4-5,9-10H2,1-3H3,(H,26,27)
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| InChIKey |
GRCNTZCXEHSCRZ-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