General Information of the Compound
| Compound ID |
CP0416409
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| Compound Name |
US9090596, 12
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| Structure |
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| Formula |
C24H26N2O6
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| Molecular Weight |
438.48
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| Canonical SMILES |
CC(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C24H26N2O6/c1-12(2)19(27)14-6-5-7-15(20(14)28)25-17-18(22(30)21(17)29)26-23(24(4)10-31-11-24)16-9-8-13(3)32-16/h5-9,12,23,25-26,28H,10-11H2,1-4H3
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| InChIKey |
MBHAWZXUFVGFIE-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