General Information of the Compound
| Compound ID |
CP0458835
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| Compound Name |
CHEMBL1834646
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| Formula |
C19H24F3N5O2
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| Molecular Weight |
411.428
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| Canonical SMILES |
O[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C19H24F3N5O2/c20-19(21,22)11-1-6-16-15(7-11)18(26-25-16)23-8-17(29)24-12-9-27(10-12)13-2-4-14(28)5-3-13/h1,6-7,12-14,28H,2-5,8-10H2,(H,24,29)(H2,23,25,26)/t13-,14+
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| InChIKey |
JHOIOEADFLDOHZ-OKILXGFUSA-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