General Information of the Compound
| Compound ID |
CP0457023
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| Compound Name |
hexyl-[[4-[2-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]ethyl]phenoxy]methyl]phosphinic acid
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| Structure |
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| Formula |
C27H39N2O7P
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| Molecular Weight |
534.59
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| Canonical SMILES |
CCCCCCP(O)(=O)COc1ccc(CCNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
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| InChI |
InChI=1S/C27H39N2O7P/c1-2-3-4-5-16-37(33,34)19-36-22-8-6-20(7-9-22)14-15-28-17-21(30)18-35-25-12-11-24(31)27-23(25)10-13-26(32)29-27/h6-9,11-12,21,28,30-31H,2-5,10,13-19H2,1H3,(H,29,32)(H,33,34)/t21-/m0/s1
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| InChIKey |
OYCJUQCGJCLQEL-NRFANRHFSA-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