General Information of the Compound
| Compound ID |
CP0490272
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| Compound Name |
1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4'-bipiperidin-3-ol
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| Structure |
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| Formula |
C26H32ClN5O3
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| Molecular Weight |
498.027
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| Canonical SMILES |
COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(O)C1
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| InChI |
InChI=1S/C26H32ClN5O3/c1-34-23-14-21-22(15-24(23)35-2)29-26(30-25(21)28-18-7-5-17(27)6-8-18)31-12-9-19(10-13-31)32-11-3-4-20(33)16-32/h5-8,14-15,19-20,33H,3-4,9-13,16H2,1-2H3,(H,28,29,30)
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| InChIKey |
AUZUCMHFUOGOFB-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: PT01508, C-C chemokine receptor type 4
Protein ID: PT06393, C-C chemokine receptor type 4