General Information of the Compound
| Compound ID |
CP0574536
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| Compound Name |
4-[3-[4-[[2-[[3-[[2-[[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-1H-indole-3-carbonyl]amino]phenyl]propyl]benzoic acid
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| Structure |
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| Formula |
C53H68N6O10
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| Molecular Weight |
949.159
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(=O)NCCOCCOCCOCCO)Cc1cccc(c1)C(=O)Nc1[nH]c2ccccc2c1C(=O)Nc1ccc(CCCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C53H68N6O10/c1-4-44(5-2)59(28-27-58(3)48(62)25-24-47(61)54-26-30-67-32-34-69-35-33-68-31-29-60)37-40-12-9-13-42(36-40)51(63)57-50-49(45-14-6-7-15-46(45)56-50)52(64)55-43-22-18-39(19-23-43)11-8-10-38-16-20-41(21-17-38)53(65)66/h6-7,9,12-23,36,44,56,60H,4-5,8,10-11,24-35,37H2,1-3H3,(H,54,61)(H,55,64)(H,57,63)(H,65,66)
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| InChIKey |
KKCHOKMUUCUGKJ-UHFFFAOYSA-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