General Information of the Compound
| Compound ID |
CP0462091
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| Compound Name |
CHEMBL2204269
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| Formula |
C23H26F3N5O3
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| Molecular Weight |
477.487
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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)c1cncnc1
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| InChI |
InChI=1S/C23H26F3N5O3/c24-23(25,26)16-3-1-2-15(8-16)21(33)29-11-20(32)30-18-12-31(13-18)19-4-6-22(34,7-5-19)17-9-27-14-28-10-17/h1-3,8-10,14,18-19,34H,4-7,11-13H2,(H,29,33)(H,30,32)/t19-,22-
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| InChIKey |
ULCLNTJDAJRDRY-XYWHTSSQSA-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