General Information of the Compound
| Compound ID |
CP0531467
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| Compound Name |
8-[(3R)-4-[(4-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
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| Structure |
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| Formula |
C29H25ClN6O
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| Molecular Weight |
509.013
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(c1ccccc1)c1ccc(Cl)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N
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| InChI |
InChI=1S/C29H25ClN6O/c1-19-18-35(28-24(17-32)29(37)34(2)25-13-12-23(16-31)33-26(25)28)14-15-36(19)27(20-6-4-3-5-7-20)21-8-10-22(30)11-9-21/h3-13,19,27H,14-15,18H2,1-2H3/t19-,27?/m1/s1
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| InChIKey |
GFECLJIWAGCCIV-FOEZPWHWSA-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