A1I6Z

Summary

Name:	Zidesamtinib
Formula:	C22 H22 F N7 O
Formal charge:	0
Formula weight:	419.455 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
InChIKey	InChI	1.06	DTWUUAFTYSMNQX-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[C@@H](C)Oc5cc(cnc5N)c12
SMILES	CACTVS	3.385	CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCn1c-2c(cn1)Cc3c(nn(n3)C)-c4ccc(cc4[C@H](Oc5cc2cnc5N)C)F
SMILES	OpenEye OEToolkits	2.0.7	CCn1c-2c(cn1)Cc3c(nn(n3)C)-c4ccc(cc4C(Oc5cc2cnc5N)C)F