General Information of the Compound
| Compound ID |
CP0510384
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| Compound Name |
1-[[6-chloro-2-(diethylamino)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C17H19ClN4O2S
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| Molecular Weight |
378.885
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| Canonical SMILES |
CCN(CC)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
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| InChI |
InChI=1S/C17H19ClN4O2S/c1-4-21(5-2)17-19-15-11(7-12(18)8-14(15)25-17)9-22-10(3)6-13(20-22)16(23)24/h6-8H,4-5,9H2,1-3H3,(H,23,24)
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| InChIKey |
JXCJHGVPDXUWCB-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