General Information of the Compound
| Compound ID |
CP0546563
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| Compound Name |
US9090596, 29
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| Structure |
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| Formula |
C25H27N3O6
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| Molecular Weight |
465.506
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| Canonical SMILES |
COc1ccc(cc1)C(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C25H27N3O6/c1-25(12-34-13-25)23(14-8-10-15(33-4)11-9-14)27-19-18(21(30)22(19)31)26-17-7-5-6-16(20(17)29)24(32)28(2)3/h5-11,23,26-27,29H,12-13H2,1-4H3
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| InChIKey |
WLJQSXYYHROJAH-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