General Information of the Compound
| Compound ID |
CP0422501
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| Compound Name |
US9090596, 25
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| Structure |
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| Formula |
C21H23N3O6S
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| Molecular Weight |
445.497
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| Canonical SMILES |
CN(C)C(=O)c1scc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C21H23N3O6S/c1-10-5-6-12(30-10)19(21(2)8-29-9-21)23-14-13(16(26)17(14)27)22-11-7-31-18(15(11)25)20(28)24(3)4/h5-7,19,22-23,25H,8-9H2,1-4H3/t19-/m0/s1
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| InChIKey |
YYOCJNPWESGBBC-IBGZPJMESA-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