基本信息
- 标准SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCC(O)C3)nc21- InChIKey
YFMXPUKJKBLXBS-UHFFFAOYSA-N- 分子式
- C18H21N5O2
- 平均分子量
- 339.4 g/mol
名称与标识
- 首选名称
- 11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one
- IUPAC
- 2-ethyl-5-(3-hydroxypyrrolidin-1-yl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
名称与别名
CHEMBL144851SCHEMBL8889162YFMXPUKJKBLXBS-UHFFFAOYSA-N11-ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2-(3- hydroxypyrrolidin-1-yl)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-Dihydro-11-ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
数据库标识
- PubChem CID
- 463549
- ChEMBL
CHEMBL144851
性质
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 81.6 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 2
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 504
相关反应
4 条
关联笔记
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