Detected Core
[#6]1:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@[#6]:&@1)-&@[#6,#7]-&@[#6]-&@[#6](-&@[#8]-&@2)-&!@[#6]1:&@[#6,#7,#8,#16]:&@[#7,#6](:&@[#7]:&@[#7,#8]:&@1)-&!@[#6&!R]-&!@[#6&!R]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1
R1
R2
R3
R4
R5
R6
R7
R8
R9
Auto-core fallback: MCS fallback from largest generic family (family n=5).
Tried 11 candidate core(s); selected generic_family_mcs.
194 compound(s) did not match the core and were excluded.
| ID | Structure | Name | Core | R1 | R2 | R3 | R4 | R5 | R6 | R7 | R8 | R9 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 58 |
|
c1c(CCn2cc(C3([*:4])CC([*:5])c4c(c([*:8])c([*:9])c([*:6])c4[*:7])O3)nn2)cc([*:3])c([*:2])c1[*:1] |
O[*:1]
|
[H][*:2]
|
O[*:3]
|
C[*:4]
|
[H][*:5]
|
O[*:6]
|
C[*:7]
|
C[*:8]
|
C[*:9]
|
|
| 73 |
|
c1c(CCc2nnc(C3([*:4])CC([*:5])c4c(c([*:8])c([*:9])c([*:6])c4[*:7])O3)o2)cc([*:3])c([*:2])c1[*:1] |
[H][*:1]
|
O[*:2]
|
O[*:3]
|
C[*:4]
|
[H][*:5]
|
O[*:6]
|
C[*:7]
|
C[*:8]
|
C[*:9]
|
|
| 78 |
|
c1c(CCn2cc(C3([*:4])CN([*:5])c4c(c([*:8])c([*:9])c([*:6])c4[*:7])O3)nn2)cc([*:3])c([*:2])c1[*:1] |
O[*:1]
|
[H][*:2]
|
O[*:3]
|
C[*:4]
|
[H][*:5]
|
[H][*:6]
|
C[*:7]
|
C[*:8]
|
C[*:9]
|
|
| 135 |
|
c1c(CCc2nnc(C3([*:4])CC([*:5])c4c(c([*:8])c([*:9])c([*:6])c4[*:7])O3)s2)cc([*:3])c([*:2])c1[*:1] |
[H][*:1]
|
O[*:2]
|
O[*:3]
|
C[*:4]
|
[H][*:5]
|
O[*:6]
|
C[*:7]
|
C[*:8]
|
C[*:9]
|
|
| 169 |
|
c1c(CCc2noc(C3([*:4])CC([*:5])c4c(c([*:8])c([*:9])c([*:6])c4[*:7])O3)n2)cc([*:3])c([*:2])c1[*:1] |
[H][*:1]
|
O[*:2]
|
O[*:3]
|
C[*:4]
|
[H][*:5]
|
O[*:6]
|
C[*:7]
|
C[*:8]
|
C[*:9]
|
|
| 188 |
|
c1c(CCn2cc(C3([*:4])C[NH+]([*:5])c4c(c([*:8])c([*:9])c([*:6])c4[*:7])O3)nn2)cc([*:3])c([*:2])c1[*:1] |
O[*:1]
|
[H][*:2]
|
O[*:3]
|
C[*:4]
|
COc1ccc(C[*:5])cc1
|
[H][*:6]
|
C[*:7]
|
C[*:8]
|
C[*:9]
|