General Information of the Compound
| Compound ID |
CP0475118
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| Compound Name |
1-[(6-chloro-2-prop-1-en-2-yl-1,3-benzothiazol-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C16H14ClN3O2S
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| Molecular Weight |
347.827
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| Canonical SMILES |
CC(=C)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
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| InChI |
InChI=1S/C16H14ClN3O2S/c1-8(2)15-18-14-10(5-11(17)6-13(14)23-15)7-20-9(3)4-12(19-20)16(21)22/h4-6H,1,7H2,2-3H3,(H,21,22)
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| InChIKey |
YIPSLOWBBLCNAX-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