General Information of the Compound
| Compound ID |
CP0514103
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| Compound Name |
N-[4-[2-[[2-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]benzamide
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
OCC(NCCc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C26H25N3O4/c30-16-22(20-10-12-23(31)25-21(20)11-13-24(32)29-25)27-15-14-17-6-8-19(9-7-17)28-26(33)18-4-2-1-3-5-18/h1-13,22,27,30-31H,14-16H2,(H,28,33)(H,29,32)
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| InChIKey |
SMXILLZGFWFHSJ-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