General Information of the Compound
| Compound ID |
CP0577078
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| Compound Name |
CHEMBL5171861
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| Formula |
C50H64N6O11S
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| Molecular Weight |
957.16
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| Canonical SMILES |
CCN([C@H]1CC[C@@H](CC1)C(=O)NCCOCCOCCOCCO)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1)N1CCCCC1
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| InChI |
InChI=1S/C50H64N6O11S/c1-2-56(42-21-17-38(18-22-42)47(58)51-25-29-65-31-33-67-34-32-66-30-28-57)68(63,64)43-8-6-7-40(35-43)48(59)53-44-23-24-45(55-26-4-3-5-27-55)54-46(44)49(60)52-41-19-13-37(14-20-41)10-9-36-11-15-39(16-12-36)50(61)62/h6-8,11-16,19-20,23-24,35,38,42,57H,2-5,9-10,17-18,21-22,25-34H2,1H3,(H,51,58)(H,52,60)(H,53,59)(H,61,62)/t38-,42-
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| InChIKey |
QYFSMBFUQHZWJY-FTDVSRLBSA-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