General Information of the Compound
| Compound ID |
CP0433168
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| Compound Name |
(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(3-methylpyridin-2-yl)methanone
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| Structure |
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| Formula |
C29H35N5O
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| Molecular Weight |
469.633
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| Canonical SMILES |
Cc1cccnc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C29H35N5O/c1-23-8-6-17-31-27(23)28(35)32-20-14-29(2,15-21-32)33-18-12-25(13-19-33)34(24-9-4-3-5-10-24)26-11-7-16-30-22-26/h3-11,16-17,22,25H,12-15,18-21H2,1-2H3
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| InChIKey |
KFPNMAHHOBQVHI-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