General Information of the Compound
| Compound ID |
CP0430446
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| Compound Name |
1-Isoquinolin-5-yl-3-phenethyl-urea
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| Structure |
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| Formula |
C18H17N3O
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| Molecular Weight |
291.354
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| Canonical SMILES |
O=C(NCCc1ccccc1)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C18H17N3O/c22-18(20-12-9-14-5-2-1-3-6-14)21-17-8-4-7-15-13-19-11-10-16(15)17/h1-8,10-11,13H,9,12H2,(H2,20,21,22)
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| InChIKey |
XUHBZKHRZZSENP-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