General Information of the Compound
| Compound ID |
CP0272021
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| Compound Name |
CHEMBL1834793
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| Formula |
C23H27F3N6OS
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| Molecular Weight |
492.571
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| Canonical SMILES |
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cncs2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H27F3N6OS/c1-31-19-7-4-15(23(24,25)26)8-18(19)22(30-31)28-10-21(33)29-16-11-32(12-16)17-5-2-14(3-6-17)20-9-27-13-34-20/h4,7-9,13-14,16-17H,2-3,5-6,10-12H2,1H3,(H,28,30)(H,29,33)/t14-,17+
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| InChIKey |
XBPRBIMQCWCMJS-KDYLLFBJSA-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