General Information of the Compound
| Compound ID |
CP0458993
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| Compound Name |
US9090596, 31
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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 |
Cc1ccc(o1)C(Nc1c(Nc2cccc(c2)C(=O)N2CCC(O)C2)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C25H27N3O6/c1-14-6-7-18(34-14)23(25(2)12-33-13-25)27-20-19(21(30)22(20)31)26-16-5-3-4-15(10-16)24(32)28-9-8-17(29)11-28/h3-7,10,17,23,26-27,29H,8-9,11-13H2,1-2H3
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| InChIKey |
HYFWWMDGIYIRBQ-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