General Information of the Compound
| Compound ID |
CP0405008
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| Compound Name |
2,4-dimethyl-1-oxy-pyridin-3-yl)-{4'-methyl-4-[(2-methyl-thiazol-4-ylmethyl)-phenyl-amino]-[1,4']bipiperidinyl-1'-yl}-methanone
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| Structure |
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| Formula |
C30H39N5O2S
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| Molecular Weight |
533.742
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| Canonical SMILES |
Cc1nc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cs1
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| InChI |
InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3
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| InChIKey |
DNXMKFAIRKHJIZ-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