General Information of the Compound
| Compound ID |
CP0406693
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| Compound Name |
US9090596, 40
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| Structure |
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| Formula |
C19H18ClN3O5
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| Molecular Weight |
403.822
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| Canonical SMILES |
Cc1ccc(o1)C(Nc1c(Nc2ccc(Cl)nc2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C19H18ClN3O5/c1-9-3-5-11(28-9)17(19(2)7-27-8-19)23-14-13(15(24)16(14)25)21-10-4-6-12(20)22-18(10)26/h3-6,17,21,23H,7-8H2,1-2H3,(H,22,26)
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| InChIKey |
AFJOTRXLUOFBJR-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