General Information of the Compound
| Compound ID |
CP0381314
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| Compound Name |
CHEMBL2204250
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| Formula |
C26H28F6N4O4
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| Molecular Weight |
574.522
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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(OCC(F)(F)F)nc1
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| InChI |
InChI=1S/C26H28F6N4O4/c27-25(28,29)15-40-22-5-4-18(11-33-22)24(39)8-6-20(7-9-24)36-13-19(14-36)35-21(37)12-34-23(38)16-2-1-3-17(10-16)26(30,31)32/h1-5,10-11,19-20,39H,6-9,12-15H2,(H,34,38)(H,35,37)/t20-,24-
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| InChIKey |
PUBORNZQLOKYKZ-LSNLESRRSA-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