General Information of the Compound
| Compound ID |
CP0448609
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| Compound Name |
(2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-7-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C29H38N4O
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| Molecular Weight |
458.65
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12
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| InChI |
InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3
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| InChIKey |
VSXCLFPMMBCXQW-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