General Information of the Compound
| Compound ID |
CP0376846
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| Compound Name |
CHEMBL2204267
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| Formula |
C23H27F3N4O3S2
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| Molecular Weight |
528.622
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| Canonical SMILES |
CSc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H27F3N4O3S2/c1-34-21-28-10-18(35-21)22(33)7-5-17(6-8-22)30-12-16(13-30)29-19(31)11-27-20(32)14-3-2-4-15(9-14)23(24,25)26/h2-4,9-10,16-17,33H,5-8,11-13H2,1H3,(H,27,32)(H,29,31)/t17-,22-
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| InChIKey |
FKLIJGDIZXHRRI-VVOJOOEHSA-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