General Information of the Compound
| Compound ID |
CP0532797
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| Compound Name |
4-[4-[4-(1-cyanocyclopropyl)phenyl]-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C27H26FN5O2
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| Molecular Weight |
471.536
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| Canonical SMILES |
CN(C)C(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N
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| InChI |
InChI=1S/C27H26FN5O2/c1-31(2)26(35)33-13-11-32(12-14-33)25(34)22-16-30-23-8-7-20(28)15-21(23)24(22)18-3-5-19(6-4-18)27(17-29)9-10-27/h3-8,15-16H,9-14H2,1-2H3
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| InChIKey |
UNZSRHGCDYYXCH-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