General Information of the Compound
| Compound ID |
CP0403557
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| Compound Name |
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone
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| Structure |
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| Formula |
C31H38N4O2
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| Molecular Weight |
498.671
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| Canonical SMILES |
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3
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| InChIKey |
KFDHCUNXEPNTLZ-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT06639, C-C chemokine receptor type 5