General Information of the Compound
| Compound ID |
CP0521836
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| Compound Name |
CHEMBL2204253
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| Formula |
C28H33F3N4O4
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| Molecular Weight |
546.59
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(OC2CCC2)nc1
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| InChI |
InChI=1S/C28H33F3N4O4/c29-28(30,31)19-4-1-3-18(13-19)26(37)33-15-24(36)34-21-16-35(17-21)22-9-11-27(38,12-10-22)20-7-8-25(32-14-20)39-23-5-2-6-23/h1,3-4,7-8,13-14,21-23,38H,2,5-6,9-12,15-17H2,(H,33,37)(H,34,36)/t22-,27-
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| InChIKey |
OUYAIIRDPFHAEM-MGFGWZDJSA-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