General Information of the Compound
| Compound ID |
CP0036979
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| Compound Name |
(2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Synonyms |
NIBR-1282
(2,4-dimethyl-1-oxy-pyridin-3-yl)-[4''-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4'']bipiperidinyl-1''-yl]-methanone
BDBM50234723
CHEMBL255858
DDVVRHNNOPQPGB-UHFFFAOYSA-N
GT-1282
NIBR-1282
SB16769
SCHEMBL619811
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| Structure |
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| Formula |
C30H37N5O2
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| Molecular Weight |
499.659
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| Canonical SMILES |
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3
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| InChIKey |
DDVVRHNNOPQPGB-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
Clinical Information about the Compound