49 SMILES Strings for Sphingolipid delta(4)-desaturase DES1

Compound Name
SMILES String
Oc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
C\C(=C/C(=O)Nc1ccc(O)cc1)c1ccccc1
Oc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Oc1ccc(NC(=O)c2ccc3ccccc3c2)nc1
Oc1ccc(NC(=O)\C=C\c2ccccc2)nc1
Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)nc1
Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8])cc1
Oc1ccc(NC(=O)c2cccc3ccccc23)cc1
Oc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1
Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)cc1
Oc1ccc(NC(=O)Cc2ccccc2)nc1
Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)nc1
COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc(O)cn1
Oc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1
Oc1ccc(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)nc1
COc1ccc(cc1)C(=O)Nc1ccc(O)cn1
CC(C)c1ccc(cc1)C(=O)Nc1ccc(O)cn1
Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)nc1 |r,wU:8.7,wD:11.14,(7.34,3.85,;6,3.08,;4.67,3.85,;3.33,3.08,;3.33,1.54,;2,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-2,1.54,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;4.67,.77,;6,1.54,)|
CCCCCCCC(=O)Nc1ccc(O)cn1
CC(C)CCCCCC(=O)Nc1ccc(O)cn1
Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)nc1 |r,wU:8.7,wD:11.14,(8,3.85,;6.67,3.08,;5.33,3.85,;4,3.08,;4,1.54,;2.67,.77,;1.33,1.54,;1.33,3.08,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-3.85,;-5.33,-3.85,;-4,-3.08,;5.33,.77,;6.67,1.54,)|
Oc1ccc(NC(=O)c2ccc(cc2)-c2cccnc2)nc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(O)cn1
CC(C)OCCCCC(=O)Nc1ccc(O)cn1
Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2Cl)nc1
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(O)cn1 |r,wU:7.10,wD:4.3,(-7.21,-2.85,;-6.12,-1.77,;-6.52,-.28,;-4.79,-2.54,;-3.46,-1.77,;-2.12,-2.54,;-.79,-1.77,;-.79,-.23,;-2.12,.54,;-3.46,-.23,;.54,.54,;.54,2.08,;1.88,-.23,;3.21,.54,;3.21,2.08,;4.55,2.85,;5.88,2.08,;7.21,2.85,;5.88,.54,;4.55,-.23,)|
CC(C)O[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(O)cn1 |r,wU:7.10,4.3,(-7.34,-2.7,;-6,-1.92,;-6.4,-.44,;-4.67,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;-.67,-1.93,;-2,-2.7,;.67,.38,;.67,1.92,;2,-.39,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.7,;6,.38,;4.67,-.39,)|
CCc1ccc(cc1)C(=O)Nc1ccc(O)cn1
Oc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)nc1
CC(c1ccc(cc1)C(=O)Nc1ccc(O)cn1)C(F)(F)F
Oc1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc1
Oc1ccc(NC(=O)C2CCCN(C2)c2ccc(F)cc2)nc1
Oc1ccc(NC(=O)CC2CCN(CC2)c2ccc(F)cc2)nc1
Oc1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)nc1
Oc1ccc(NC(=O)CC2CCN(CC2)c2ccc(Cl)cc2)nc1
Oc1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)nc1
Oc1ccc(NC(=O)C2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc1
Oc1ccc(NC(=O)C2CCN(CC2)c2ccc(F)cc2)nc1
Oc1ccc(NC(=O)CC2CCN(CC2)c2ccc(Cl)cn2)nc1
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C
C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4|
CCCCCCCCCCCCCSC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC |r|
CCCCCCCCCCCCCC1=C(C1)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC |r,t:13|
CCCCCCCCCCC\C=C\CC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC |r|
CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)CCCCCCC |r|