Submission Details
Molecule(s):
JOH-IMS-0f19a540-1
Duplicate of:
JOH-IMS-7e73aedd-7
C[C@@H](O)[C@H](c1ccc2c(c1)OCO2)N(C)C
JOH-IMS-0f19a540-2
Duplicate of:
JOH-IMS-7e73aedd-8
C[C@H]1C[C@@](c2ccc3c(c2)OCO3)(N(C)C)C[C@@H](C)O1
JOH-IMS-0f19a540-3
Duplicate of:
JOH-IMS-7e73aedd-9
CC(=O)Oc1ccc2c(c1)OCO2
JOH-IMS-0f19a540-4
Duplicate of:
JOH-IMS-7e73aedd-10
C1CCCN(C2CCOCC2)CC1
N[C@@H](C1CC1)N1CCCCCC1
CC[C@](C)(CC(F)F)N1CCCCCC1
CN(C)[C@H](C(=O)c1ccc2c(c1)OCO2)C1CCC1
C[C@H](OCC1CCCCC1)c1ccc2c(c1)OCO2
CC(C)CC[C@]1(c2ccc3c(c2)OCO3)CCCOC1
CC(C)SCc1ccc2c(c1)OCO2
C[C@H](CSC1CCCC1)c1ccc2c(c1)OCO2
C[C@H](N[C@@H]1COC[C@H]1O)C(=O)c1ccc2c(c1)OCO2
O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCNC1
C[C@H](CC1CCC(O)CC1)c1ccc2c(c1)OCO2
Design Rationale:
docking with SeeSAR - derivatives designed from starting with fragment