General Information of the Compound
| Compound ID |
CP0476227
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| Compound Name |
4-Bromo-1-(4-chloro-benzyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C29H30BrClN2O
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| Molecular Weight |
537.929
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| Canonical SMILES |
Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H30BrClN2O/c1-17-25(29(34)32-27-22-12-19-11-20(14-22)15-23(27)13-19)26(30)28(21-5-3-2-4-6-21)33(17)16-18-7-9-24(31)10-8-18/h2-10,19-20,22-23,27H,11-16H2,1H3,(H,32,34)
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| InChIKey |
ARAMNTUIECTTLT-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