General Information of the Compound
| Compound ID |
CP0534225
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| Compound Name |
8-[(3S)-4-[bis(4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-7-chloro-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
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| Structure |
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| Formula |
C28H24ClF2N5O
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| Molecular Weight |
519.983
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| Canonical SMILES |
C[C@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)c1c(Cl)c(=O)n(C)c2ccc(nc12)C#N
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| InChI |
InChI=1S/C28H24ClF2N5O/c1-17-16-35(27-24(29)28(37)34(2)23-12-11-22(15-32)33-25(23)27)13-14-36(17)26(18-3-7-20(30)8-4-18)19-5-9-21(31)10-6-19/h3-12,17,26H,13-14,16H2,1-2H3/t17-/m0/s1
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| InChIKey |
UFIZEEXQYAMFJQ-KRWDZBQOSA-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