General Information of the Compound
| Compound ID |
CP0853779
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| Compound Name |
Biphenyl-4-carboxylic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C29H35N3O2
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| Molecular Weight |
457.618
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2)cc1
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| InChI |
InChI=1S/C29H35N3O2/c1-31(2)18-6-20-34-28-15-9-23(10-16-28)21-32-19-17-27(22-32)30-29(33)26-13-11-25(12-14-26)24-7-4-3-5-8-24/h3-5,7-16,27H,6,17-22H2,1-2H3,(H,30,33)/t27-/m0/s1
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| InChIKey |
NSUOPMMMYGVQCS-MHZLTWQESA-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