General Information of the Compound
| Compound ID |
CP0494300
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| Compound Name |
CHEMBL1834799
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| Formula |
C26H33F3N6OS
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| Molecular Weight |
534.652
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| Canonical SMILES |
CC(C)c1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H33F3N6OS/c1-15(2)25-31-11-22(37-25)16-4-7-19(8-5-16)35-13-18(14-35)32-23(36)12-30-24-20-10-17(26(27,28)29)6-9-21(20)34(3)33-24/h6,9-11,15-16,18-19H,4-5,7-8,12-14H2,1-3H3,(H,30,33)(H,32,36)/t16-,19+
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| InChIKey |
WLCRNAWGAIMIQQ-UWUNEBHHSA-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