General Information of the Compound
| Compound ID |
CP0385579
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| Compound Name |
CHEMBL2204249
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| Formula |
C26H31F3N4O4
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| Molecular Weight |
520.552
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| Canonical SMILES |
CCOc1ccc(cn1)[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/C26H31F3N4O4/c1-2-37-23-7-6-19(13-30-23)25(36)10-8-21(9-11-25)33-15-20(16-33)32-22(34)14-31-24(35)17-4-3-5-18(12-17)26(27,28)29/h3-7,12-13,20-21,36H,2,8-11,14-16H2,1H3,(H,31,35)(H,32,34)/t21-,25-
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| InChIKey |
KJISMMFJJNLRBV-OKDASEJXSA-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