General Information of the Compound
| Compound ID |
CP0115370
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| Compound Name |
1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C26H30FN5O2
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| Molecular Weight |
463.557
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| Canonical SMILES |
CCC1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)C(=O)C1CC1)C#N
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| InChI |
InChI=1S/C26H30FN5O2/c1-2-26(17-28)7-9-30(10-8-26)23-20-15-19(27)5-6-22(20)29-16-21(23)25(34)32-13-11-31(12-14-32)24(33)18-3-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3
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| InChIKey |
WWNYGWVXNBKAJJ-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