General Information of the Compound
| Compound ID |
CP0579008
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| Compound Name |
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-(2-phenylethyl)-1H-quinolin-2-one
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| Structure |
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| Formula |
C27H22ClN3O
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| Molecular Weight |
439.946
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| Canonical SMILES |
Clc1ccc(cc1)C(c1ccc2[nH]c(=O)cc(CCc3ccccc3)c2c1)n1ccnc1
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| InChI |
InChI=1S/C27H22ClN3O/c28-23-11-8-20(9-12-23)27(31-15-14-29-18-31)22-10-13-25-24(16-22)21(17-26(32)30-25)7-6-19-4-2-1-3-5-19/h1-5,8-18,27H,6-7H2,(H,30,32)
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| InChIKey |
QLCJYLDSVKCWAY-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