PDB CCD ID: | 0JG | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C21 H21 N5 O3 | ||||||||||||
InChI: | InChI=1S/C21H21N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h3-8,12,15,27H,9-10H2,1-2H3,(H2,23,24,25)/b8-3+/t15-/m0/s1 | ||||||||||||
InChIKey: | ZJERBAYUHUAUBE-GZTQLTBSSA-N | ||||||||||||
SMILES: |
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Name: | methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate; (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | ||||||||||||
ZINC: | ZINC000095921125 |

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