General Information of the Compound
| Compound ID |
CP0486916
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| Compound Name |
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-5-amine
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| Structure |
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| Formula |
C29H27ClN6O
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| Molecular Weight |
511.029
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1cnc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1
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| InChI |
InChI=1S/C29H27ClN6O/c1-18-16-36(17-19(2)37-18)27-15-31-28-24(9-6-10-25(28)34-27)33-21-11-12-23(30)22(13-21)29-32-14-26(35-29)20-7-4-3-5-8-20/h3-15,18-19,33H,16-17H2,1-2H3,(H,32,35)/t18-,19+
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| InChIKey |
MEHXIYFEOYPTCR-KDURUIRLSA-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