Decarine
HIT212665398
sdf文件结构编辑类似物检索
HIT ID: HIT212665398
Cas No: 54354-62-0
分子式: C19H13NO4
分子量: 319.316
常用名: Decarine
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.2718508
IUPAC: 18-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-17-ol
IUPAC: 18-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-17-ol
SMILES: COc1c(O)ccc2c1cnc1c3cc4OCOc4cc3ccc21
SMILES: COc1c(O)ccc2c1cnc1c3cc4OCOc4cc3ccc21
InChI key: GJJFWGQGJJGJEO-UHFFFAOYSA-N
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