Name: TL13-149
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212718487
Cas No:
常用名:TL13-149
别名:TL13149, TL13 149
IUPAC:N-(2-{2-[2-(2-{[4-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-11-yl]oxy}ethoxy)ethoxy]ethoxy}ethyl)-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}acetamide
IUPAC:N-(2-{2-[2-(2-{[4-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-11-yl]oxy}ethoxy)ethoxy]ethoxy}ethyl)-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}acetamide
InChI key:UVOLPFGPOFPBOB-UHFFFAOYSA-N

分子式:C46H49N9O11S
分子量:936.01
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:4.0838594
SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccc(OCCOCCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)cc32)no1
SMILES:CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccc(OCCOCCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)cc32)no1

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