General Information of the Compound
| Compound ID |
CP0130798
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| Compound Name |
N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
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| Structure |
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| Formula |
C27H23FN4O4S
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| Molecular Weight |
518.57
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| Canonical SMILES |
COc1cc2nccc(Sc3ccc(NC(=O)N4CCN(C4=O)c4ccc(F)cc4)cc3)c2cc1OC
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| InChI |
InChI=1S/C27H23FN4O4S/c1-35-23-15-21-22(16-24(23)36-2)29-12-11-25(21)37-20-9-5-18(6-10-20)30-26(33)32-14-13-31(27(32)34)19-7-3-17(28)4-8-19/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)
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| InChIKey |
ALOLWPZNYDZDHQ-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