General Information of the Compound
Compound ID |
CP0867688
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Compound Name |
N-(Adamantan-1-yl)-7-fluoro-4-hydroxy-2-oxo-1-(1-pentyl)-1,4-dihydroquinoline-3-carboxamide
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Structure |
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Formula |
C25H31FN2O3
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Molecular Weight |
426.532
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Canonical SMILES |
CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccc(F)cc21
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InChI |
InChI=1S/C25H31FN2O3/c1-2-3-4-7-28-20-11-18(26)5-6-19(20)22(29)21(24(28)31)23(30)27-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17,29H,2-4,7-10,12-14H2,1H3,(H,27,30)
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InChIKey |
QHSJVMXTEFKMQK-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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ChEMBL ID |
Table of Molecular Bioactivities Related to the Compound