General Information of the Compound
| Compound ID |
CP0429170
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| Compound Name |
US9090596, 30
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| Structure |
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| Formula |
C25H25N3O7
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| Molecular Weight |
479.489
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| Canonical SMILES |
CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc4OCOc4c3)C3(C)COC3)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C25H25N3O7/c1-25(10-33-11-25)23(13-7-8-16-17(9-13)35-12-34-16)27-19-18(21(30)22(19)31)26-15-6-4-5-14(20(15)29)24(32)28(2)3/h4-9,23,26-27,29H,10-12H2,1-3H3
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| InChIKey |
AERTYNHXIVQLQD-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