General Information of the Compound
| Compound ID |
CP0519374
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| Compound Name |
1-[[6-acetyl-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 |
C20H20N4O3S
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| Molecular Weight |
396.472
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| Canonical SMILES |
CC(=O)c1cc(Cn2nc(cc2C)C(O)=O)c2nc(sc2c1)N1CCC=CC1
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| InChI |
InChI=1S/C20H20N4O3S/c1-12-8-16(19(26)27)22-24(12)11-15-9-14(13(2)25)10-17-18(15)21-20(28-17)23-6-4-3-5-7-23/h3-4,8-10H,5-7,11H2,1-2H3,(H,26,27)
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| InChIKey |
CMHIUCYBMJJJAC-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