General Information of the Compound
| Compound ID |
CP0115374
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| Compound Name |
1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C25H28FN5O2
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| Molecular Weight |
449.53
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)C(=O)C1CC1)C#N
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| InChI |
InChI=1S/C25H28FN5O2/c1-25(16-27)6-8-29(9-7-25)22-19-14-18(26)4-5-21(19)28-15-20(22)24(33)31-12-10-30(11-13-31)23(32)17-2-3-17/h4-5,14-15,17H,2-3,6-13H2,1H3
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| InChIKey |
KTSITCVMAFXAJZ-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