General Information of the Compound
| Compound ID |
CP0853632
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| Compound Name |
(4-(3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl)-3-fluorothiophene-2-carbonyl)-L-glutamic Acid
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| Structure |
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| Formula |
C19H20FN5O6S
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| Molecular Weight |
465.463
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| Canonical SMILES |
Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H20FN5O6S/c20-13-8(2-1-3-9-6-10-15(22-9)24-19(21)25-16(10)28)7-32-14(13)17(29)23-11(18(30)31)4-5-12(26)27/h6-7,11H,1-5H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t11-/m0/s1
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| InChIKey |
WMTFSFGBNBUALY-NSHDSACASA-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: PT06045, Folate receptor beta
Protein ID: PT05580, Proton-coupled folate transporter
Protein ID: PT05723, Reduced folate transporter