General Information of the Compound
| Compound ID |
CP0960019
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| Compound Name |
US8993765, 2
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| Synonyms |
PMID25522065-Compound-9
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| Structure |
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CNCC2
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| InChI |
InChI=1S/C23H22N4O2/c1-26-20-9-11-24-14-19(20)18-7-8-21(25-23(18)26)27-12-10-17(13-22(27)28)29-15-16-5-3-2-4-6-16/h2-8,10,12-13,24H,9,11,14-15H2,1H3
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| InChIKey |
SXWOYRGICAISET-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
Clinical Information about the Compound