General Information of the Compound
| Compound ID |
CP0557647
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| Compound Name |
8-[(2S,5R)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
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| Structure |
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| Formula |
C24H23F2N5O3
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| Molecular Weight |
467.476
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CN1Cc1ccc2OC(F)(F)Oc2c1)c1cc(=O)n(C)c2ccc(nc12)C#N
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| InChI |
InChI=1S/C24H23F2N5O3/c1-14-12-31(19-9-22(32)29(3)18-6-5-17(10-27)28-23(18)19)15(2)11-30(14)13-16-4-7-20-21(8-16)34-24(25,26)33-20/h4-9,14-15H,11-13H2,1-3H3/t14-,15+/m1/s1
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| InChIKey |
ITSXSYKMRJAHCY-CABCVRRESA-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
Protein ID: PT04465, Diacylglycerol kinase alpha
Protein ID: PT04672, Diacylglycerol kinase zeta