General Information of the Compound
| Compound ID |
CP0439539
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| Compound Name |
6-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-1H-indazole
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| Structure |
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| Formula |
C25H20ClN3O
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| Molecular Weight |
413.908
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc2cn[nH]c2c1
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| InChI |
InChI=1S/C25H20ClN3O/c1-17-7-11-24(29(17)21-10-8-19-15-27-28-23(19)14-21)22-13-20(26)9-12-25(22)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,27,28)
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| InChIKey |
IWMSELZELBEFAA-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