Basic Information |
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Product Name: | 5-[[7-[3-[ETHYL[2-(PHOSPHONOOXY)ETHYL]AMINO]PROPOXY]-4-QUINAZOLINYL]AMINO]-N-(3-FLUOROPHENYL)-1H-PYRAZOLE-3-ACETAMIDE (2Z)-2-BUTENEDIOATE (1:1) |
CAS: | 957104-91-5 |
English Synonyms: | 5-[[7-[3-[ETHYL[2-(PHOSPHONOOXY)ETHYL]AMINO]PROPOXY]-4-QUINAZOLINYL]AMINO]-N-(3-FLUOROPHENYL)-1H-PYRAZOLE-3-ACETAMIDE (2Z)-2-BUTENEDIOATE (1:1) |
MDL Number.: | MFCD16621133 |
H bond acceptor: | 13 |
H bond donor: | 5 |
Smile: | CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O.C(=C\C(=O)O)\C(=O)O |
InChi: | InChI=1S/C26H31FN7O6P.C4H4O4/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19;5-3(6)1-2-4(7)8/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33);1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChiKey: | InChIKey=REBDKUBWKZOVKH-BTJKTKAUSA-N |
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