General Information of the Compound
| Compound ID |
CP0535036
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| Compound Name |
8-cyclobutyloxy-6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
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| Formula |
C24H22F2N4O
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| Molecular Weight |
420.463
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| Canonical SMILES |
Fc1cc(OC2CCC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1
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| InChI |
InChI=1S/C24H22F2N4O/c25-17-12-19-23(22(13-17)31-18-4-3-5-18)28-15-16(14-27)24(19)30-10-8-29(9-11-30)21-7-2-1-6-20(21)26/h1-2,6-7,12-13,15,18H,3-5,8-11H2
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| InChIKey |
BCLTVEHZDQGTBC-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