General Information of the Compound
| Compound ID |
CP0461086
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| Compound Name |
(2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-6-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)Nc1ccc2ccn(C)c2c1
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| InChI |
InChI=1S/C29H38N4O/c1-21-6-5-7-22(2)27(21)28(34)32-18-13-29(3,14-19-32)33-16-11-24(12-17-33)30-25-9-8-23-10-15-31(4)26(23)20-25/h5-10,15,20,24,30H,11-14,16-19H2,1-4H3
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| InChIKey |
NKKVEHXLRJSJIK-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