General Information of the Compound
| Compound ID |
CP0477991
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| Compound Name |
1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C24H26FN5O2
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| Molecular Weight |
435.503
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(CC3)C#N)c2c1
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| InChI |
InChI=1S/C24H26FN5O2/c25-18-3-4-21-19(13-18)22(28-7-5-16(14-26)6-8-28)20(15-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,13,15-17H,1-2,5-12H2
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| InChIKey |
GWTFJTMAIBMVQU-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