General Information of the Compound
| Compound ID |
CP0459609
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| Compound Name |
1'-(4-{[2-(4-Chlorophenyl)ethyl]amino}-6,7-dimethoxyquinazolin-2-yl)-1,40-bipiperidin-3-yl]methanol
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| Structure |
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| Formula |
C29H38ClN5O3
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| Molecular Weight |
540.108
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| Canonical SMILES |
COc1cc2nc(nc(NCCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
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| InChI |
InChI=1S/C29H38ClN5O3/c1-37-26-16-24-25(17-27(26)38-2)32-29(33-28(24)31-12-9-20-5-7-22(30)8-6-20)34-14-10-23(11-15-34)35-13-3-4-21(18-35)19-36/h5-8,16-17,21,23,36H,3-4,9-15,18-19H2,1-2H3,(H,31,32,33)
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| InChIKey |
PTAGCXBAEBBEDM-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