General Information of the Compound
| Compound ID |
CP0499426
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| Compound Name |
CHEMBL2204257
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| Formula |
C21H24F3N5O3S
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| Molecular Weight |
483.516
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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)c1nncs1
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| InChI |
InChI=1S/C21H24F3N5O3S/c22-21(23,24)14-3-1-2-13(8-14)18(31)25-9-17(30)27-15-10-29(11-15)16-4-6-20(32,7-5-16)19-28-26-12-33-19/h1-3,8,12,15-16,32H,4-7,9-11H2,(H,25,31)(H,27,30)/t16-,20-
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| InChIKey |
MDWCRBJLEOKOBU-UKIBZPOASA-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