General Information of the Compound
| Compound ID |
CP0540257
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| Compound Name |
1-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-isoquinoline
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| Structure |
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| Formula |
C18H11Cl2N3
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| Molecular Weight |
340.213
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| Canonical SMILES |
Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1nccc2ccccc12
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| InChI |
InChI=1S/C18H11Cl2N3/c19-14-6-5-12(9-15(14)20)16-10-22-18(23-16)17-13-4-2-1-3-11(13)7-8-21-17/h1-10H,(H,22,23)
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| InChIKey |
CMKIJASLASXGTK-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