General Information of the Compound
| Compound ID |
CP0384341
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| Compound Name |
1-(isoquinolin-5-yl)-3-(2-(4-methoxyphenyl)-3-phenylpropyl)urea
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| Structure |
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| Formula |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
COc1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H25N3O2/c1-31-23-12-10-20(11-13-23)22(16-19-6-3-2-4-7-19)18-28-26(30)29-25-9-5-8-21-17-27-15-14-24(21)25/h2-15,17,22H,16,18H2,1H3,(H2,28,29,30)
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| InChIKey |
UDJRVNBUDHBZTF-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