General Information of the Compound
| Compound ID |
CP0454308
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| Compound Name |
(3,5-dichloropyridin-4-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C28H31Cl2N5O
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| Molecular Weight |
524.496
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| Canonical SMILES |
CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C28H31Cl2N5O/c1-28(11-16-33(17-12-28)27(36)26-24(29)19-32-20-25(26)30)34-14-9-22(10-15-34)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3
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| InChIKey |
NEWOCKYIUSCKBX-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