General Information of the Compound
| Compound ID |
CP0460415
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| Compound Name |
1-[[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 |
C18H18N4O2S
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| Molecular Weight |
354.435
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| Canonical SMILES |
Cc1cc(nn1Cc1cccc2sc(nc12)N1CCC=CC1)C(O)=O
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| InChI |
InChI=1S/C18H18N4O2S/c1-12-10-14(17(23)24)20-22(12)11-13-6-5-7-15-16(13)19-18(25-15)21-8-3-2-4-9-21/h2-3,5-7,10H,4,8-9,11H2,1H3,(H,23,24)
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| InChIKey |
ITBHEDIUYBDMQP-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