General Information of the Compound
| Compound ID |
CP0384794
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| Compound Name |
US9090596, 42
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| Structure |
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| Formula |
C21H19N3O5
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| Molecular Weight |
393.399
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| Canonical SMILES |
Cc1ccc(o1)C(Nc1c(Nc2cccc(C#N)c2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C21H19N3O5/c1-11-6-7-14(29-11)20(21(2)9-28-10-21)24-16-15(18(26)19(16)27)23-13-5-3-4-12(8-22)17(13)25/h3-7,20,23-25H,9-10H2,1-2H3
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| InChIKey |
RUASFSCZZJLOFQ-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