General Information of the Compound
| Compound ID |
CP0405009
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| Compound Name |
(4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone
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| Structure |
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| Formula |
C33H41N3O
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| Molecular Weight |
495.711
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3
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| InChIKey |
JBRPUKJNMGIQRP-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2