General Information of the Compound
| Compound ID |
CP0475397
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| Compound Name |
1-(2-(2-isopropylphenyl)benzofuran-7-yl)-3-(4-pentylphenyl)urea
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| Synonyms |
GlaxoSmithKline compound 5h
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| Structure |
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| Formula |
C29H32N2O2
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| Molecular Weight |
440.587
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)Nc2cccc3cc(oc23)-c2ccccc2C(C)C)cc1
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| InChI |
InChI=1S/C29H32N2O2/c1-4-5-6-10-21-15-17-23(18-16-21)30-29(32)31-26-14-9-11-22-19-27(33-28(22)26)25-13-8-7-12-24(25)20(2)3/h7-9,11-20H,4-6,10H2,1-3H3,(H2,30,31,32)
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| InChIKey |
ASCJIAKBYVUVNZ-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
Clinical Information about the Compound