Name: Dovitinib-RIBOTAC TFA
Rating: 5 (10 reviews)

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HIT ID:HIT217584972
Cas No:2759351-69-2
常用名:Dovitinib-RIBOTAC TFA
IUPAC:ethyl 5-{[4-(2-{2-[2-(2-{[(2-{4-[2-(4-amino-5-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-1H-1,3-benzodiazol-6-yl]piperazin-1-yl}ethyl)carbamoyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)-3-hydroxyphenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate; trifluoroacetic acid
IUPAC:ethyl 5-{[4-(2-{2-[2-(2-{[(2-{4-[2-(4-amino-5-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-1H-1,3-benzodiazol-6-yl]piperazin-1-yl}ethyl)carbamoyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)-3-hydroxyphenyl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate; trifluoroacetic acid
InChI key:XJPFTXYRNFERMZ-UHFFFAOYSA-N

分子式:C53H57F4N9O12S
分子量:1120.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCCOCCOCCOCCNC(=O)NCCN3CCN(CC3)c3ccc4nc([nH]c4c3)-c3c(N)c4c(F)cccc4[nH]c3=O)c(O)c2)C1=O
SMILES:OC(=O)C(F)(F)F.CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCCOCCOCCOCCNC(=O)NCCN3CCN(CC3)c3ccc4nc([nH]c4c3)-c3c(N)c4c(F)cccc4[nH]c3=O)c(O)c2)C1=O

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