General Information of the Compound
| Compound ID |
CP0440554
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| Compound Name |
(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(naphthalen-1-yl)methanone
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| Structure |
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| Formula |
C33H36N4O
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| Molecular Weight |
504.678
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| Canonical SMILES |
CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3
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| InChIKey |
OYJCCUUCPLNDIZ-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