Name: Chitinase-IN-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671770
Cas No:1579991-63-1
常用名:Chitinase-IN-2
IUPAC:10-(dimethylamino)-3-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
IUPAC:10-(dimethylamino)-3-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
InChI key:MZVBLDCRQKXSHR-UHFFFAOYSA-N

分子式:C20H21N5O2S
分子量:395.48
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:1.3459667
SMILES:CN(C)c1ccc2C(=O)N(CCNCc3nnc(C)s3)C(=O)c3cccc1c23
SMILES:CN(C)c1ccc2C(=O)N(CCNCc3nnc(C)s3)C(=O)c3cccc1c23

Chitinase-IN-2 is an insect chitinase and N- acetyl hexosaminidase inhibitor and pesticide.

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