General Information of the Compound
Compound ID |
CP0199010
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Compound Name |
[4-[N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethylanilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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Structure |
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Formula |
C26H31N3O2
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Molecular Weight |
417.553
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Canonical SMILES |
Cc1cc(C)cc(c1)N(Cc1ccc(CO)cc1)c1cc(C(=O)N2CCCC2)n(C)c1
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InChI |
InChI=1S/C26H31N3O2/c1-19-12-20(2)14-23(13-19)29(16-21-6-8-22(18-30)9-7-21)24-15-25(27(3)17-24)26(31)28-10-4-5-11-28/h6-9,12-15,17,30H,4-5,10-11,16,18H2,1-3H3
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InChIKey |
UFQDWXYZGWHYFO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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