General Information of the Compound
| Compound ID |
CP0378480
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| Compound Name |
1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C17H13F4N5O2
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| Molecular Weight |
395.316
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| Canonical SMILES |
Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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| InChIKey |
WOMTXGGBILJJNX-UHFFFAOYSA-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT01508, C-C chemokine receptor type 4
Protein ID: PT00903, C-C chemokine receptor type 5
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000040 | THP-1 | Homo sapiens (Human) | 1 |
| 1 |
CC50 > 50000 nM
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TI
LI
LO
TS
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