General Information of the Compound
| Compound ID |
CP0472539
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| Compound Name |
CHEMBL1834650
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| Formula |
C20H27F3N6O3S
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| Molecular Weight |
488.536
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| Canonical SMILES |
CS(=O)(=O)N[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/C20H27F3N6O3S/c1-33(31,32)28-13-3-5-15(6-4-13)29-10-14(11-29)25-18(30)9-24-19-16-8-12(20(21,22)23)2-7-17(16)26-27-19/h2,7-8,13-15,28H,3-6,9-11H2,1H3,(H,25,30)(H2,24,26,27)/t13-,15+
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| InChIKey |
ULYVIQRDWMYXRX-OTVXOJSOSA-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