General Information of the Compound
| Compound ID |
CP0420004
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| Compound Name |
US9090596, 6
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| Structure |
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| Formula |
C25H27N3O7
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| Molecular Weight |
481.505
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| Canonical SMILES |
Cc1ccc(o1)C(Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)C1(C)COC1
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| InChI |
InChI=1S/C25H27N3O7/c1-13-6-7-17(35-13)23(25(2)11-34-12-25)27-19-18(21(31)22(19)32)26-16-5-3-4-15(20(16)30)24(33)28-9-8-14(29)10-28/h3-7,14,23,26-27,29-30H,8-12H2,1-2H3/t14-,23?/m0/s1
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| InChIKey |
ZSBXLRVFHKRIHC-JRQMZCAUSA-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