General Information of the Compound
| Compound ID |
CP0499064
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| Compound Name |
CHEMBL1834651
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| Formula |
C26H27F3N4O4
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| Molecular Weight |
516.52
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| Canonical SMILES |
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccc4OCOc4c3)c2c1
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| InChI |
InChI=1S/C26H27F3N4O4/c27-26(28,29)17-4-8-21-20(10-17)25(32-37-21)30-11-24(34)31-18-12-33(13-18)19-5-1-15(2-6-19)16-3-7-22-23(9-16)36-14-35-22/h3-4,7-10,15,18-19H,1-2,5-6,11-14H2,(H,30,32)(H,31,34)/t15-,19+
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| InChIKey |
HQGJCOXCZNLUFA-GLRZTSSQSA-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2