General Information of the Compound
| Compound ID |
CP0458353
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| Compound Name |
CHEMBL1829619
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| Formula |
C25H29F3N4O3
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| Molecular Weight |
490.526
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| Canonical SMILES |
COc1ccc(cn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N4O3/c1-35-23-10-7-18(12-29-23)16-5-8-21(9-6-16)32-14-20(15-32)31-22(33)13-30-24(34)17-3-2-4-19(11-17)25(26,27)28/h2-4,7,10-12,16,20-21H,5-6,8-9,13-15H2,1H3,(H,30,34)(H,31,33)/t16-,21-
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| InChIKey |
PWZJJDJNMPHXPO-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