Name: Tapotoclax
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212669326
Cas No:1883727-34-1
常用名:Tapotoclax
别名:他普托克拉, AMG-176, AMG176
IUPAC:(1S,3'R,6'R,7'S,8'E,11'S,12'R)-6-chloro-7'-methoxy-11',12'-dimethyl-3,4-dihydro-2H-20'-oxa-13'lambda6-thia-1',14'-diazaspiro[naphthalene-1,22'-tetracyclo[14.7.2.0^{3,6}.0^{19,24}]pentacosane]-8',16',18',24'-tetraene-13',13',15'-trione
IUPAC:(1S,3'R,6'R,7'S,8'E,11'S,12'R)-6-chloro-7'-methoxy-11',12'-dimethyl-3,4-dihydro-2H-20'-oxa-13'lambda6-thia-1',14'-diazaspiro[naphthalene-1,22'-tetracyclo[14.7.2.0^{3,6}.0^{19,24}]pentacosane]-8',16',18',24'-tetraene-13',13',15'-trione
InChI key:JQNINBDKGLWYMU-GEAQBIRJSA-N

分子式:C33H41ClN2O5S
分子量:613.21
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:5.953787
SMILES:[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |t:10|
SMILES:[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |t:10|

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