General Information of the Compound
| Compound ID |
CP0073856
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| Compound Name |
(2S)-2-[[4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C24H28N4O6S
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| Molecular Weight |
500.577
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| Canonical SMILES |
Nc1nc2sc(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H28N4O6S/c25-24-27-21(32)17-13-16(35-22(17)28-24)6-4-2-1-3-5-14-7-9-15(10-8-14)20(31)26-18(23(33)34)11-12-19(29)30/h7-10,13,18H,1-6,11-12H2,(H,26,31)(H,29,30)(H,33,34)(H3,25,27,28,32)/t18-/m0/s1
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| InChIKey |
SDRLYZWSSWDGRX-SFHVURJKSA-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: PT01873, Trifunctional purine biosynthetic protein adenosine-3
Cell Viability or Cytotoxicity Assay