General Information of the Compound
| Compound ID |
CP0115372
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| Compound Name |
1-[6-fluoro-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C25H30FN5O2
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| Molecular Weight |
451.546
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| Canonical SMILES |
CC(C)C(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(C)(CC1)C#N
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| InChI |
InChI=1S/C25H30FN5O2/c1-17(2)23(32)30-10-12-31(13-11-30)24(33)20-15-28-21-5-4-18(26)14-19(21)22(20)29-8-6-25(3,16-27)7-9-29/h4-5,14-15,17H,6-13H2,1-3H3
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| InChIKey |
AQUFTNLJKRXRSQ-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