General Information of the Compound
| Compound ID |
CP0194147
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| Compound Name |
1-{[(2S)-2,3-dihydroxypropyl]amino}-6-methoxy-4-phenylisoquinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H19N3O3
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| Molecular Weight |
349.39
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| Canonical SMILES |
COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
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| InChI |
InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23-20(16)22-11-14(25)12-24/h2-9,14,24-25H,11-12H2,1H3,(H,22,23)/t14-/m0/s1
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| InChIKey |
KHVLDRZIYXBOLZ-AWEZNQCLSA-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