General Information of the Compound
| Compound ID |
CP0953938
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| Compound Name |
2-(4-Hydroxybenzylidene)-7-((4-nitrobenzyl)oxy)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C23H17NO5
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| Molecular Weight |
387.391
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| Canonical SMILES |
O=C1/C(=C/c2ccc(O)cc2)Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c21
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| InChI |
InChI=1S/C23H17NO5/c25-20-10-6-15(7-11-20)12-18-13-17-2-1-3-21(22(17)23(18)26)29-14-16-4-8-19(9-5-16)24(27)28/h1-12,25H,13-14H2/b18-12+
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| InChIKey |
YLLAXLJVEQXGCF-LDADJPATSA-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