General Information of the Compound
| Compound ID |
CP0452513
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| Compound Name |
CHEMBL1834790
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| Formula |
C26H31F3N6O2
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| Molecular Weight |
516.568
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| Canonical SMILES |
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H31F3N6O2/c1-34-22-9-6-18(26(27,28)29)11-21(22)25(33-34)31-13-23(36)32-19-14-35(15-19)20-7-3-16(4-8-20)17-5-10-24(37-2)30-12-17/h5-6,9-12,16,19-20H,3-4,7-8,13-15H2,1-2H3,(H,31,33)(H,32,36)/t16-,20+
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| InChIKey |
SYJSQOHBESPDKE-MOBUCQHHSA-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