Compound N036-0102
HIT100583393
sdf文件结构编辑类似物检索
HIT ID: HIT100583393
Cas No: -
分子式: C37H40N2O6
分子量: 608.735
常用名: Compound N036-0102
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 5.2923
IUPAC: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2^{14,17}.1^{19,23}.0^{3,8}.0^{7,12}.0^{29,33}]hexatriaconta-1(31),3(8),4,6,14,16,19,21,23(34),29,32,35-dodecaen-4-ol
IUPAC: 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2^{14,17}.1^{19,23}.0^{3,8}.0^{7,12}.0^{29,33}]hexatriaconta-1(31),3(8),4,6,14,16,19,21,23(34),29,32,35-dodecaen-4-ol
SMILES: COc1ccc2CC3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6C(Cc7ccc(Oc1c2)cc7)N(C)CCc56)cc34
SMILES: COc1ccc2CC3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6C(Cc7ccc(Oc1c2)cc7)N(C)CCc56)cc34
InChI key: CASHVZNATRNXDE-UHFFFAOYSA-N
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