General Information of the Compound
| Compound ID |
CP0430890
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| Compound Name |
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine
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| Structure |
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| Formula |
C27H29ClN2O2
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| Molecular Weight |
448.994
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| Canonical SMILES |
CC(CC(C)(C)C)Oc1cccc2ccc(NCc3ccc(o3)-c3ccccc3Cl)nc12
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| InChI |
InChI=1S/C27H29ClN2O2/c1-18(16-27(2,3)4)31-24-11-7-8-19-12-15-25(30-26(19)24)29-17-20-13-14-23(32-20)21-9-5-6-10-22(21)28/h5-15,18H,16-17H2,1-4H3,(H,29,30)
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| InChIKey |
MNBOFLCSNXJHFJ-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