General Information of the Compound
| Compound ID |
CP0452303
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| Compound Name |
CHEMBL1829611
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| Formula |
C26H28F3N3O4
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| Molecular Weight |
503.521
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H28F3N3O4/c27-26(28,29)19-6-1-17(2-7-19)25(34)30-12-24(33)31-20-13-32(14-20)21-8-3-16(4-9-21)18-5-10-22-23(11-18)36-15-35-22/h1-2,5-7,10-11,16,20-21H,3-4,8-9,12-15H2,(H,30,34)(H,31,33)/t16-,21-
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| InChIKey |
ZKCFIHVGKYMOOL-OQIWPSSASA-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