General Information of the Compound
| Compound ID |
CP0396352
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| Compound Name |
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]propane-1,2-diol
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
OCC(O)CNc1cc(nc2ccccc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H23N3O2/c25-14-17(26)12-22-20-11-21(23-19-8-4-3-7-18(19)20)24-10-9-15-5-1-2-6-16(15)13-24/h1-8,11,17,25-26H,9-10,12-14H2,(H,22,23)
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| InChIKey |
GGOIZDJNKGSNQN-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