General Information of the Compound
| Compound ID |
CP0440529
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| Compound Name |
US9090596, 7
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| Structure |
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| Formula |
C30H35N3O8
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| Molecular Weight |
565.623
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| Canonical SMILES |
Cc1ccc(o1)C(Nc1c(Nc2cccc(C(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)c2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C30H35N3O8/c1-16-11-12-20(40-16)26(30(5)14-39-15-30)32-22-21(24(35)25(22)36)31-18-9-6-8-17(23(18)34)27(37)33-13-7-10-19(33)28(38)41-29(2,3)4/h6,8-9,11-12,19,26,31-32,34H,7,10,13-15H2,1-5H3/t19-,26?/m1/s1
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| InChIKey |
SZNHUSHUOHAGBP-ICCFGIFFSA-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