Structure details of probe BAY-707 and control BAY-604

	BAY-707	BAY-604
IUPAC name	ethylamino-(5-(3-methyl-morpholin-4-yl)-2,9-diaza-bicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)-methanone	ethylamino-(9-methyl-5-(3-methyl-morpholin-4-yl)-2,9-diaza-bicyclo[4.3.0]nona-1(6),2,4,7-tetraen-8-yl)-methanone
Molecular weight	288.34 g/mol	302.17 g/mol
SMILES	CCNC(c1cc2c(ccnc2[nH]1)N1CCOC[C@@H]1C)=O	CCNC(c1cc2c(ccnc2n1C)N1CCOC[C@@H]1C)=O
InChi	InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1	InChI=1S/C16H22N4O2/c1-4-17-16(21)14-9-12-13(5-6-18-15(12)19(14)3)20-7-8-22-10-11(20)2/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,21)/t11-/m0/s1
InChi key	RPMGXDCRCWWCRY-JTQLQIEISA-N	SYYSMZCCSNLTHZ-NSHDSACASA-N
Molecular formular	C15H20N4O2	C16H22N4O2
Number of chiral centres	1	1
Number of rotational bonds	4	4
Number of hydrogen bond acceptors	4	4
Number of hydrogen bond donors	2	1
	Download sdf file	Download sdf file