General Information of the Compound
| Compound ID |
CP0310758
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| Compound Name |
CHEMBL2315924
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| Formula |
C23H25F3N6O2S
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| Molecular Weight |
506.554
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1
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| InChI |
InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(7-14)21(30-12-29-18)28-9-20(33)31-15-10-32(11-15)16-3-5-22(34,6-4-16)19-8-27-13-35-19/h1-2,7-8,12-13,15-16,34H,3-6,9-11H2,(H,31,33)(H,28,29,30)/t16-,22-
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| InChIKey |
UVNOHJFVSYGPNY-CIEDQVTBSA-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: PT05251, C-C chemokine receptor-like 2