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Product details

名称

抗感染

分子类型

小分子

别名

6H-二吡啶并[3,2-b:2',3'-e][1,4]二氮卓-6-酮,11-乙基-5,11-二氢-5-甲基-8-[2-[(1-氧化-4-喹啉基)氧基]乙基]-

英文别名

英文名称

6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-

货号

D670992-1mg

包装规格

1mg

CAS号

380378-81-4

分子式

C25H23N5O3

分子量

441.5 g/mol

PubChem编号

3010663

Isomeric SMILES

CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=[N+](C5=CC=CC=C54)[O-])C

IIUPAC Name

2-ethyl-9-methyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

INCHI

1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3

InChi Key

BEMBRAMZGVDPMH-UHFFFAOYSA-N

Smiles

CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=[N+](C5=CC=CC=C54)[O-])C

PubChem CID

3010663

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

441.18 Da

单同位素质量Monoisotopic Mass

441.18 Da

拓扑极表面积Topological Polar Surface Area

84.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

680

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.8

ALogP

2.8

作用类型

抑制剂

作用机制

人体免疫缺陷病毒 1 型逆转录酶抑制剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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