General Information of the Compound
| Compound ID |
CP0520187
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| Compound Name |
1-[[6-cyano-2-(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 |
C19H17N5O2S
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| Molecular Weight |
379.445
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(cc2sc(nc12)N1CCC=CC1)C#N)C(O)=O
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| InChI |
InChI=1S/C19H17N5O2S/c1-12-7-15(18(25)26)22-24(12)11-14-8-13(10-20)9-16-17(14)21-19(27-16)23-5-3-2-4-6-23/h2-3,7-9H,4-6,11H2,1H3,(H,25,26)
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| InChIKey |
AXSPHWVQZDLQGR-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