General Information of the Compound
| Compound ID |
CP0427146
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| Compound Name |
[6-[[benzyl-[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]amino]methyl]pyridin-3-yl]boronic acid
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| Structure |
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| Formula |
C25H22BFN4O3
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| Molecular Weight |
456.286
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| Canonical SMILES |
OB(O)c1ccc(CN(Cc2ccccc2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
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| InChI |
InChI=1S/C25H22BFN4O3/c27-21-8-11-22(12-9-21)30-25(32)19-6-13-24(29-14-19)31(16-18-4-2-1-3-5-18)17-23-10-7-20(15-28-23)26(33)34/h1-15,33-34H,16-17H2,(H,30,32)
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| InChIKey |
MXCRXBCGEWUMNZ-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