General Information of the Compound
| Compound ID |
CP0405904
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| Compound Name |
1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-yl-urea
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| Structure |
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| Formula |
C18H15Cl2N3O
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| Molecular Weight |
360.244
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| Canonical SMILES |
Clc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1Cl
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| InChI |
InChI=1S/C18H15Cl2N3O/c19-15-5-4-12(10-16(15)20)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-14(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24)
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| InChIKey |
DYLGBLIADBFOMY-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