General Information of the Compound
| Compound ID |
CP0915864
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| Compound Name |
(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl)thiophene-2-carbonyl)-L-glutamic acid
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| Formula |
C20H22N4O6S2
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| Molecular Weight |
478.552
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| Canonical SMILES |
Nc1nc2sc(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H22N4O6S2/c21-20-23-16(27)12-8-11(32-18(12)24-20)4-2-1-3-10-7-14(31-9-10)17(28)22-13(19(29)30)5-6-15(25)26/h7-9,13H,1-6H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1
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| InChIKey |
QNFVXICXLFWABV-ZDUSSCGKSA-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: PT02379, Bifunctional purine biosynthesis protein ATIC
Protein ID: PT04881, Folate receptor alpha
Protein ID: PT06045, Folate receptor beta
Protein ID: PT05580, Proton-coupled folate transporter
Protein ID: PT05723, Reduced folate transporter