General Information of the Compound
| Compound ID |
CP0430933
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| Compound Name |
2-(4-{[(3-Benzothiadiazolphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
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| Structure |
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| Formula |
C21H20N8O3S2
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| Molecular Weight |
496.578
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| Canonical SMILES |
CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc2nsnc2c1
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| InChI |
InChI=1S/C21H20N8O3S2/c1-2-27-11-14(19(31)32)17(30)13-10-22-20(24-18(13)27)28-5-7-29(8-6-28)21(33)23-12-3-4-15-16(9-12)26-34-25-15/h3-4,9-11H,2,5-8H2,1H3,(H,23,33)(H,31,32)
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| InChIKey |
TXKCPYNQAWJPHH-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