General Information of the Compound
| Compound ID |
CP0464171
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| Compound Name |
2-[(5-boronopyridin-2-yl)methyl-[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C19H17BFN5O5
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| Molecular Weight |
425.185
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| Canonical SMILES |
OB(O)c1ccc(CN(CC(O)=O)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
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| InChI |
InChI=1S/C19H17BFN5O5/c21-14-2-5-15(6-3-14)25-18(29)12-7-23-19(24-8-12)26(11-17(27)28)10-16-4-1-13(9-22-16)20(30)31/h1-9,30-31H,10-11H2,(H,25,29)(H,27,28)
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| InChIKey |
BWRRPMMRHPWKEA-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2