General Information of the Compound
| Compound ID |
CP0486558
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| Compound Name |
US9090596, 20
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| Structure |
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| Formula |
C19H19N3O5
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| Molecular Weight |
369.377
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| Canonical SMILES |
Cc1ccc(o1)C(Nc1c(Nc2cccnc2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C19H19N3O5/c1-10-5-6-12(27-10)17(19(2)8-26-9-19)22-14-13(15(23)16(14)24)21-11-4-3-7-20-18(11)25/h3-7,17,21-22H,8-9H2,1-2H3,(H,20,25)
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| InChIKey |
QRWLFDDWLCJPJQ-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