General Information of the Compound
| Compound ID |
CP0519378
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| Compound Name |
2-(3-(4-(quinolin-2-ylmethoxy)phenyl)acryloyl)benzoic acid
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| Structure |
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| Formula |
C26H19NO4
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| Molecular Weight |
409.441
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| Canonical SMILES |
OC(=O)c1ccccc1C(=O)\C=C\c1ccc(OCc2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C26H19NO4/c28-25(22-6-2-3-7-23(22)26(29)30)16-11-18-9-14-21(15-10-18)31-17-20-13-12-19-5-1-4-8-24(19)27-20/h1-16H,17H2,(H,29,30)/b16-11+
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| InChIKey |
QOPFKXVYVLMQQY-LFIBNONCSA-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