General Information of the Compound
| Compound ID |
CP0454784
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| Compound Name |
8-Hydroxy-5-{2-hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-propoxy}-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H26N2O5
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| Molecular Weight |
386.448
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| Canonical SMILES |
COc1ccc(CCNC[C@@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
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| InChI |
InChI=1S/C21H26N2O5/c1-27-16-4-2-14(3-5-16)10-11-22-12-15(24)13-28-19-8-7-18(25)21-17(19)6-9-20(26)23-21/h2-5,7-8,15,22,24-25H,6,9-13H2,1H3,(H,23,26)/t15-/m1/s1
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| InChIKey |
GYIIDLBOLUQESI-OAHLLOKOSA-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