Submission Details

Molecule(s):
CCC1=CN(CCN(C)C)CC(C2(c3ccc(Cl)cn3)CC2)C1

DAR-DIA-a80d16a0-1

CCC1=CN(CCN(C)C)CC(C2(c3ccc(Cl)cn3)CC2)C1

CNCCN1C=C(F)CC(C2(c3ccc(C)cc3)CC2)C1

DAR-DIA-a80d16a0-2

CNCCN1C=C(F)CC(C2(c3ccc(C)cc3)CC2)C1

CNCCN1C=C(F)CC(C2(c3ccc(Cl)cc3)CC2)C1

DAR-DIA-a80d16a0-3

CNCCN1C=C(F)CC(C2(c3ccc(Cl)cc3)CC2)C1

CNCCN1C=C(F)CC(C2(c3ccc(Cl)cn3)CC2)C1

DAR-DIA-a80d16a0-4

CNCCN1C=C(F)CC(C2(c3ccc(Cl)cn3)CC2)C1

COC1=CN(CCN(C)C)CC(C2(c3ccc(Cl)cc3)CC2)C1

DAR-DIA-a80d16a0-5

COC1=CN(CCN(C)C)CC(C2(c3ccc(Cl)cc3)CC2)C1

CCC1=CN(CCNC)CC(C2(c3ccc(Cl)cn3)CC2)C1

DAR-DIA-a80d16a0-6

CCC1=CN(CCNC)CC(C2(c3ccc(Cl)cn3)CC2)C1

CCc1ccc(C2(C3CC(F)=CN(CCNC)C3)CC2)s1

DAR-DIA-a80d16a0-7

CCc1ccc(C2(C3CC(F)=CN(CCNC)C3)CC2)s1

CCc1cnc(C2(C3CC(F)=CN(CCNC)C3)CC2)s1

DAR-DIA-a80d16a0-8

CCc1cnc(C2(C3CC(F)=CN(CCNC)C3)CC2)s1

CNCCN1C=C(F)CC(C2(c3ncc(C)s3)CC2)C1

DAR-DIA-a80d16a0-9

CNCCN1C=C(F)CC(C2(c3ncc(C)s3)CC2)C1

COC1=CN(CCN(C)C)CC(C2(c3ccccc3)CC2)C1

DAR-DIA-a80d16a0-10

COC1=CN(CCN(C)C)CC(C2(c3ccccc3)CC2)C1


Design Rationale:

Based on growing of fragment x0395 and taking some features from x0104

Inspired By:
Download PDB File
Discussion: