General Information of the Compound
| Compound ID |
CP0458351
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| Compound Name |
CHEMBL1829632
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| Formula |
C26H30F3N3O4
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| Molecular Weight |
505.537
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| Canonical SMILES |
COc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N3O4/c1-36-22-7-5-18(6-8-22)25(35)11-9-21(10-12-25)32-15-20(16-32)31-23(33)14-30-24(34)17-3-2-4-19(13-17)26(27,28)29/h2-8,13,20-21,35H,9-12,14-16H2,1H3,(H,30,34)(H,31,33)/t21-,25+
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| InChIKey |
UARNPVFEWLAVGQ-IVHGUIJPSA-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