General Information of the Compound
| Compound ID |
CP0573199
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| Compound Name |
CHEMBL5177872
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| Formula |
C43H51N7O9S2
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| Molecular Weight |
874.055
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| Canonical SMILES |
CCN([C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(=O)NS(=O)(=O)NC)cc1)N1CCCCC1
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| InChI |
InChI=1S/C43H51N7O9S2/c1-3-50(35-22-18-32(19-23-35)43(54)55)60(56,57)36-9-7-8-33(28-36)40(51)46-37-24-25-38(49-26-5-4-6-27-49)47-39(37)42(53)45-34-20-14-30(15-21-34)11-10-29-12-16-31(17-13-29)41(52)48-61(58,59)44-2/h7-9,12-17,20-21,24-25,28,32,35,44H,3-6,10-11,18-19,22-23,26-27H2,1-2H3,(H,45,53)(H,46,51)(H,48,52)(H,54,55)/t32-,35-
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| InChIKey |
USSUYGMMOBQOMZ-NZLVZKABSA-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: PT07709, Sodium-dependent phosphate transport protein 2B
Protein ID: PT06327, Sodium-dependent phosphate transport protein 2B