General Information of the Compound
| Compound ID |
CP0476366
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| Compound Name |
CHEMBL1834792
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| Formula |
C22H25F3N6OS
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| Molecular Weight |
478.544
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| Canonical SMILES |
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cncs3)c2c1
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| InChI |
InChI=1S/C22H25F3N6OS/c23-22(24,25)14-3-6-18-17(7-14)21(30-29-18)27-9-20(32)28-15-10-31(11-15)16-4-1-13(2-5-16)19-8-26-12-33-19/h3,6-8,12-13,15-16H,1-2,4-5,9-11H2,(H,28,32)(H2,27,29,30)/t13-,16+
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| InChIKey |
VIVZXPJCCFWJDH-AKAXFMLLSA-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