General Information of the Compound
| Compound ID |
CP0899567
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| Compound Name |
(E,Z)-6-(2-((2-Oxo-5-thioxoimidazolidin-4-ylidene)methyl)quinolin-6-yl)-3,4-dihydroisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C22H16N4O2S
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| Molecular Weight |
400.463
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| Canonical SMILES |
O=C1NC(=S)/C(=C/c2ccc3cc(-c4ccc5c(c4)CCNC5=O)ccc3n2)N1
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| InChI |
InChI=1S/C22H16N4O2S/c27-20-17-5-2-12(9-14(17)7-8-23-20)13-3-6-18-15(10-13)1-4-16(24-18)11-19-21(29)26-22(28)25-19/h1-6,9-11H,7-8H2,(H,23,27)(H2,25,26,28,29)/b19-11-
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| InChIKey |
WBTDTXTWQXSVJK-ODLFYWEKSA-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