General Information of the Compound
| Compound ID |
CP0424764
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| Compound Name |
1-(isoquinolin-5-yl)-3-(2-(4-methoxyphenyl)-3-(pyridin-3-yl)propyl)urea
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| Structure |
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| Formula |
C25H24N4O2
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| Molecular Weight |
412.493
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| Canonical SMILES |
COc1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1cccnc1
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| InChI |
InChI=1S/C25H24N4O2/c1-31-22-9-7-19(8-10-22)21(14-18-4-3-12-26-15-18)17-28-25(30)29-24-6-2-5-20-16-27-13-11-23(20)24/h2-13,15-16,21H,14,17H2,1H3,(H2,28,29,30)
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| InChIKey |
TYNWYOMSZOLTRN-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