Lifirafenib maleate
HIT218848408
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HIT ID: HIT218848408
Cas No: 1854985-74-2
分子式: C62H46F6N8O18
分子量: 1305.078
常用名: Lifirafenib maleate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tris((2Z)-but-2-enedioic acid); bis(5-{[(2R,3R,4S)-3-[6-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]-5-oxatricyclo[4.4.0.0^{2,4}]deca-1(10),6,8-trien-9-yl]oxy}-2,3,4,8-tetrahydro-1,8-naphthyridin-2-one)
IUPAC: tris((2Z)-but-2-enedioic acid); bis(5-{[(2R,3R,4S)-3-[6-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]-5-oxatricyclo[4.4.0.0^{2,4}]deca-1(10),6,8-trien-9-yl]oxy}-2,3,4,8-tetrahydro-1,8-naphthyridin-2-one)
SMILES: OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.[H][C@]12Oc3ccc(OC4=C5CCC(=O)N=C5NC=C4)cc3[C@@]1([H])[C@@H]2c1nc2ccc(cc2[nH]1)C(F)(F)F.[H][C@]12Oc3ccc(OC4=C5CCC(=O)N=C5NC=C4)cc3[C@@]1([H])[C@@H]2c1nc2ccc(cc2[nH]1)C(F)(F)F
SMILES: OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.[H][C@]12Oc3ccc(OC4=C5CCC(=O)N=C5NC=C4)cc3[C@@]1([H])[C@@H]2c1nc2ccc(cc2[nH]1)C(F)(F)F.[H][C@]12Oc3ccc(OC4=C5CCC(=O)N=C5NC=C4)cc3[C@@]1([H])[C@@H]2c1nc2ccc(cc2[nH]1)C(F)(F)F
InChI key: CETNPISTLYWCDC-SWWFIDOGSA-N
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