General Information of the Compound
| Compound ID |
CP0931268
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
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| Structure |
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| Formula |
C29H28F2N4O3
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| Molecular Weight |
518.564
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| Canonical SMILES |
Cn1c2c(cc(C(=O)Nc3cc(C#N)ccc3N3CCC(Oc4ccc(F)cc4F)CC3)c1=O)CCCC2
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| InChI |
InChI=1S/C29H28F2N4O3/c1-34-25-5-3-2-4-19(25)15-22(29(34)37)28(36)33-24-14-18(17-32)6-8-26(24)35-12-10-21(11-13-35)38-27-9-7-20(30)16-23(27)31/h6-9,14-16,21H,2-5,10-13H2,1H3,(H,33,36)
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| InChIKey |
TVWISBHDAROWDB-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