General Information of the Compound
| Compound ID |
CP0399034
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| Compound Name |
(1'-{4-[(4-Chlorobenzyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4'-bipiperidin-3-yl)methanol
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| Structure |
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| Formula |
C28H36ClN5O3
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| Molecular Weight |
526.081
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| Canonical SMILES |
COc1cc2nc(nc(NCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
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| InChI |
InChI=1S/C28H36ClN5O3/c1-36-25-14-23-24(15-26(25)37-2)31-28(32-27(23)30-16-19-5-7-21(29)8-6-19)33-12-9-22(10-13-33)34-11-3-4-20(17-34)18-35/h5-8,14-15,20,22,35H,3-4,9-13,16-18H2,1-2H3,(H,30,31,32)
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| InChIKey |
JUTQNVZXCFFRSI-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