General Information of the Compound
| Compound ID |
CP0705782
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| Compound Name |
(4-{N-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)ethyl]formamido}benzoyl)-L-L-glutamic Acid
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| Structure |
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| Formula |
C21H22N6O7
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| Molecular Weight |
470.442
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| Canonical SMILES |
Nc1nc2[nH]c(CCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H22N6O7/c22-21-25-17-14(19(32)26-21)9-12(23-17)7-8-27(10-28)13-3-1-11(2-4-13)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,9-10,15H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,22,23,25,26,32)/t15-/m0/s1
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| InChIKey |
CYOOKDIMCAPJGV-HNNXBMFYSA-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