Submission Details

Molecule(s):
C[C@@H](O)[C@H](c1ccc2c(c1)OCO2)N(C)C

JOH-IMS-0f19a540-1
Duplicate of:
JOH-IMS-7e73aedd-7

C[C@@H](O)[C@H](c1ccc2c(c1)OCO2)N(C)C

C[C@H]1C[C@@](c2ccc3c(c2)OCO3)(N(C)C)C[C@@H](C)O1

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

CC(=O)Oc1ccc2c(c1)OCO2

JOH-IMS-0f19a540-3
Duplicate of:
JOH-IMS-7e73aedd-9

CC(=O)Oc1ccc2c(c1)OCO2

C1CCCN(C2CCOCC2)CC1

JOH-IMS-0f19a540-4
Duplicate of:
JOH-IMS-7e73aedd-10

C1CCCN(C2CCOCC2)CC1

CN(C)[C@H](C(=O)c1ccc2c(c1)OCO2)C1CCC1

JOH-IMS-0f19a540-7

CN(C)[C@H](C(=O)c1ccc2c(c1)OCO2)C1CCC1

C[C@H](OCC1CCCCC1)c1ccc2c(c1)OCO2

JOH-IMS-0f19a540-8

C[C@H](OCC1CCCCC1)c1ccc2c(c1)OCO2

CC(C)CC[C@]1(c2ccc3c(c2)OCO3)CCCOC1

JOH-IMS-0f19a540-9

CC(C)CC[C@]1(c2ccc3c(c2)OCO3)CCCOC1

C[C@H](CSC1CCCC1)c1ccc2c(c1)OCO2

JOH-IMS-0f19a540-11

C[C@H](CSC1CCCC1)c1ccc2c(c1)OCO2

C[C@H](N[C@@H]1COC[C@H]1O)C(=O)c1ccc2c(c1)OCO2

JOH-IMS-0f19a540-12

C[C@H](N[C@@H]1COC[C@H]1O)C(=O)c1ccc2c(c1)OCO2

O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCNC1

JOH-IMS-0f19a540-13

O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCNC1

C[C@H](CC1CCC(O)CC1)c1ccc2c(c1)OCO2

JOH-IMS-0f19a540-14

C[C@H](CC1CCC(O)CC1)c1ccc2c(c1)OCO2


Design Rationale:

docking with SeeSAR - derivatives designed from starting with fragment

Discussion: