General Information of the Compound
| Compound ID |
CP0397625
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| Compound Name |
CHEMBL2204262
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| Formula |
C26H27F3N4O3S
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| Molecular Weight |
532.588
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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)c1nc2ccccc2s1
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| InChI |
InChI=1S/C26H27F3N4O3S/c27-26(28,29)17-5-3-4-16(12-17)23(35)30-13-22(34)31-18-14-33(15-18)19-8-10-25(36,11-9-19)24-32-20-6-1-2-7-21(20)37-24/h1-7,12,18-19,36H,8-11,13-15H2,(H,30,35)(H,31,34)/t19-,25-
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| InChIKey |
KENWZUGTDFTDNZ-FEHRVWHQSA-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