General Information of the Compound
| Compound ID |
CP0571052
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| Compound Name |
N-[3-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-3-methylbutanamide
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
CC(C)CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
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| InChI |
InChI=1S/C25H31N3O4/c1-16(2)13-24(32)27-18-7-3-5-17(14-18)6-4-12-26-15-22(30)19-8-10-21(29)25-20(19)9-11-23(31)28-25/h3,5,7-11,14,16,22,26,29-30H,4,6,12-13,15H2,1-2H3,(H,27,32)(H,28,31)
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| InChIKey |
SXSJEYJXYSXISL-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