General Information of the Compound
| Compound ID |
CP0434501
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| Compound Name |
1-(isoquinolin-5-yl)-3-(2-(4-methoxyphenyl)propyl)urea
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
COc1ccc(cc1)C(C)CNC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C20H21N3O2/c1-14(15-6-8-17(25-2)9-7-15)12-22-20(24)23-19-5-3-4-16-13-21-11-10-18(16)19/h3-11,13-14H,12H2,1-2H3,(H2,22,23,24)
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| InChIKey |
XFTNEUARLLIGMJ-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