General Information of the Compound
| Compound ID |
CP0551868
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| Compound Name |
US9090596, 38
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| Structure |
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| Formula |
C25H29N3O6
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| Molecular Weight |
467.522
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| Canonical SMILES |
CC(C)c1coc(c1)C(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C25H29N3O6/c1-13(2)14-9-17(34-10-14)23(25(3)11-33-12-25)27-19-18(21(30)22(19)31)26-16-8-6-7-15(20(16)29)24(32)28(4)5/h6-10,13,23,26-27,29H,11-12H2,1-5H3
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| InChIKey |
ZHAAHVPYFDDLLE-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