General Information of the Compound
| Compound ID |
CP0458350
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| Compound Name |
CHEMBL1829636
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| Formula |
C25H27F4N3O2
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| Molecular Weight |
477.502
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@](F)(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H27F4N3O2/c26-24(18-6-2-1-3-7-18)11-9-21(10-12-24)32-15-20(16-32)31-22(33)14-30-23(34)17-5-4-8-19(13-17)25(27,28)29/h1-8,13,20-21H,9-12,14-16H2,(H,30,34)(H,31,33)/t21-,24+
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| InChIKey |
UIXXHYJYOADLPS-PEPAQOBHSA-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