General Information of the Compound
| Compound ID |
CP0957799
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| Compound Name |
4-[(8-Hydroxy-quinolin-7-yl)-morpholin-4-yl-methyl]-benzonitrile
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
N#Cc1ccc(C(c2ccc3cccnc3c2O)N2CCOCC2)cc1
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| InChI |
InChI=1S/C21H19N3O2/c22-14-15-3-5-17(6-4-15)20(24-10-12-26-13-11-24)18-8-7-16-2-1-9-23-19(16)21(18)25/h1-9,20,25H,10-13H2
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| InChIKey |
NEPWAZRKVPTWBM-UHFFFAOYSA-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