General Information of the Compound
| Compound ID |
CP0459950
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| Compound Name |
US9090596, 39
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| Structure |
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| Formula |
C20H21N3O6
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| Molecular Weight |
399.403
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| Canonical SMILES |
COc1ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c(O)n1
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| InChI |
InChI=1S/C20H21N3O6/c1-10-4-6-12(29-10)18(20(2)8-28-9-20)23-15-14(16(24)17(15)25)21-11-5-7-13(27-3)22-19(11)26/h4-7,18,21,23H,8-9H2,1-3H3,(H,22,26)
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| InChIKey |
BFIBWVQMMDUUOU-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