General Information of the Compound
| Compound ID |
CP0204133
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| Compound Name |
(S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)-pentyl]-thiophene-2-carbonyl}-amino)-pentanedioicAcid
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| Structure |
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| Formula |
C21H25N5O6S
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| Molecular Weight |
475.527
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| Canonical SMILES |
Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H25N5O6S/c22-21-25-17-13(18(29)26-21)10-11(23-17)4-2-1-3-5-12-6-8-15(33-12)19(30)24-14(20(31)32)7-9-16(27)28/h6,8,10,14H,1-5,7,9H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t14-/m0/s1
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| InChIKey |
NDMAMOPJTVHRPP-AWEZNQCLSA-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: PT05580, Proton-coupled folate transporter
Protein ID: PT01873, Trifunctional purine biosynthetic protein adenosine-3
Cell Viability or Cytotoxicity Assay