General Information of the Compound
| Compound ID |
CP0397629
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| Compound Name |
CHEMBL2204266
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| Formula |
C25H31F3N4O4S
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| Molecular Weight |
540.608
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| Canonical SMILES |
CC(C)Oc1ncc(s1)[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/C25H31F3N4O4S/c1-15(2)36-23-30-11-20(37-23)24(35)8-6-19(7-9-24)32-13-18(14-32)31-21(33)12-29-22(34)16-4-3-5-17(10-16)25(26,27)28/h3-5,10-11,15,18-19,35H,6-9,12-14H2,1-2H3,(H,29,34)(H,31,33)/t19-,24-
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| InChIKey |
AFUFWTIDRLJXMP-OGAOHHHESA-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