General Information of the Compound
| Compound ID |
CP0281261
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| Compound Name |
4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-ylthio)acetamido)benzoic acid
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| Structure |
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| Formula |
C22H22N4O4S
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| Molecular Weight |
438.509
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| Canonical SMILES |
CCn1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2nc3CCCCc3cc2c1=O
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| InChI |
InChI=1S/C22H22N4O4S/c1-2-26-20(28)16-11-14-5-3-4-6-17(14)24-19(16)25-22(26)31-12-18(27)23-15-9-7-13(8-10-15)21(29)30/h7-11H,2-6,12H2,1H3,(H,23,27)(H,29,30)
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| InChIKey |
VUOTYLYHWXXTFU-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