A1EZW

Summary

Name:	Cap-dependent endonuclease-IN-27
Formula:	C23 H19 F2 N3 O4
Formal charge:	0
Formula weight:	439.411 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/C23H19F2N3O4/c1-26-19-8-10-32-18-12-16(25)15(24)11-14(18)20(13-5-3-2-4-6-13)28(19)27-9-7-17(29)22(30)21(27)23(26)31/h2-7,9,11-12,19-20,30H,8,10H2,1H3/t19-,20+/m0/s1
InChIKey	InChI	1.06	IYONRGIGIMDOIP-VQTJNVASSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1[C@@H]2CCOc3cc(F)c(F)cc3[C@H](N2N4C=CC(=O)C(=C4C1=O)O)c5ccccc5
SMILES	CACTVS	3.385	CN1[CH]2CCOc3cc(F)c(F)cc3[CH](N2N4C=CC(=O)C(=C4C1=O)O)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1[C@@H]2CCOc3cc(c(cc3[C@H](N2N4C=CC(=O)C(=C4C1=O)O)c5ccccc5)F)F
SMILES	OpenEye OEToolkits	2.0.7	CN1C2CCOc3cc(c(cc3C(N2N4C=CC(=O)C(=C4C1=O)O)c5ccccc5)F)F