General Information of the Compound
| Compound ID |
CP0571994
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| Compound Name |
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-8-(oxolan-3-yloxy)quinoline-3-carbonitrile
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| Formula |
C24H22F2N4O2
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| Molecular Weight |
436.462
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| Canonical SMILES |
Fc1cc(OC2CCOC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1
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| InChI |
InChI=1S/C24H22F2N4O2/c25-17-11-19-23(22(12-17)32-18-5-10-31-15-18)28-14-16(13-27)24(19)30-8-6-29(7-9-30)21-4-2-1-3-20(21)26/h1-4,11-12,14,18H,5-10,15H2
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| InChIKey |
RDQBSBOOXVNBMT-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