General Information of the Compound
| Compound ID |
CP0566084
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| Compound Name |
1-[[6-chloro-2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C18H20ClN5O2S
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| Molecular Weight |
405.911
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| Canonical SMILES |
CN1CCN(CC1)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
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| InChI |
InChI=1S/C18H20ClN5O2S/c1-11-7-14(17(25)26)21-24(11)10-12-8-13(19)9-15-16(12)20-18(27-15)23-5-3-22(2)4-6-23/h7-9H,3-6,10H2,1-2H3,(H,25,26)
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| InChIKey |
GLNBMGCXXBBMNB-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