General Information of the Compound
| Compound ID |
CP0566081
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| Compound Name |
1-[[6-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-1,3-benzothiazol-4-yl]methyl]pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C17H15ClN4O2S
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| Molecular Weight |
374.853
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| Canonical SMILES |
OC(=O)c1ccn(Cc2cc(Cl)cc3sc(nc23)N2CCC=CC2)n1
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| InChI |
InChI=1S/C17H15ClN4O2S/c18-12-8-11(10-22-7-4-13(20-22)16(23)24)15-14(9-12)25-17(19-15)21-5-2-1-3-6-21/h1-2,4,7-9H,3,5-6,10H2,(H,23,24)
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| InChIKey |
GVAQXDCQPSGECJ-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