HIT ID: HIT218833033

Cas No:

分子式: C28H32N4O3

分子量: 480.638

常用名: (6E,16E)-11-{2-[(2,2,3,3,4,4,5,5-2H8)pyrrolidin-1-yl]ethoxy}-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(24),2,4,6,8,10,12(26),16,21(25),22-decaene, Pacritinib-d8

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (6E,16E)-11-{2-[(2,2,3,3,4,4,5,5-2H8)pyrrolidin-1-yl]ethoxy}-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(24),2,4,6,8,10,12(26),16,21(25),22-decaene

SMILES: [2H]C1([2H])N(CCOc2ccc3cc2COC\C=C\COCc2cccc(c2)C2=CC=N\C(N2)=N\3)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI key: HWXVIOGONBBTBY-ROZAZZCUSA-N