General Information of the Compound
| Compound ID |
CP0557646
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| Compound Name |
8-[(3R)-4-[bis(4-chlorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
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| Structure |
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| Formula |
C29H24Cl2N6O
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| Molecular Weight |
543.458
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N
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| InChI |
InChI=1S/C29H24Cl2N6O/c1-18-17-36(28-24(16-33)29(38)35(2)25-12-11-23(15-32)34-26(25)28)13-14-37(18)27(19-3-7-21(30)8-4-19)20-5-9-22(31)10-6-20/h3-12,18,27H,13-14,17H2,1-2H3/t18-/m1/s1
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| InChIKey |
SDZJBPNDMVKIRN-GOSISDBHSA-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