General Information of the Compound
| Compound ID |
CP0542699
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| Compound Name |
1-[6-fluoro-3-(4-propanoylpiperazine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C24H28FN5O2
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| Molecular Weight |
437.519
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| Canonical SMILES |
CCC(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(C)(CC1)C#N
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| InChI |
InChI=1S/C24H28FN5O2/c1-3-21(31)28-10-12-30(13-11-28)23(32)19-15-27-20-5-4-17(25)14-18(20)22(19)29-8-6-24(2,16-26)7-9-29/h4-5,14-15H,3,6-13H2,1-2H3
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| InChIKey |
SJPGPRUBXSHHHJ-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