General Information of the Compound
| Compound ID |
CP0874192
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| Compound Name |
(4-(4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)-2-fluorobenzoyl)-L-glutamic Acid
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| Structure |
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| Formula |
C22H24FN5O6
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| Molecular Weight |
473.461
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| Canonical SMILES |
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H24FN5O6/c23-15-9-11(5-6-13(15)19(31)26-16(21(33)34)7-8-17(29)30)3-1-2-4-12-10-14-18(25-12)27-22(24)28-20(14)32/h5-6,9-10,16H,1-4,7-8H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)/t16-/m0/s1
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| InChIKey |
BDXBDXZHMOFNOY-INIZCTEOSA-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