Molecular Properties | |
SMILES: | O=C(Nn1cnc2ccccc21)C(Cc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 |
MW: | 460.17 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 59.39 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | 2020-10-06 |
Singel acyclic N-N bonds
N,N-Dialkyl aniline derivatives (5)
ALP-POS-bad7201a-8
0.758
ALP-POS-8ed8d9ec-3
0.710
ALP-POS-8ed8d9ec-14
0.491
JAN-GHE-5a013bed-2
0.479
ALP-POS-a3de0cb1-7
0.458
ALP-POS-a3de0cb1-13
0.444
ALP-POS-8ed8d9ec-15
0.435
BAR-COM-0f94fc3d-12
0.423
BAR-COM-0f94fc3d-24
0.398
MAT-POS-06036648-8
0.391
CHO-MSK-00c5269a-4
0.390
JAN-GHE-f4ca5a00-9
0.385
MAT-POS-3b92565d-11
0.383
MAT-POS-c478e61b-2
0.381
JAN-GHE-f4ca5a00-1
0.375
JAN-GHE-f4ca5a00-3
0.375
MAT-POS-3b92565d-10
0.374
ALP-POS-8ed8d9ec-9
0.361
BAR-COM-0f94fc3d-32
0.348
BAR-COM-0f94fc3d-42
0.348
JAN-GHE-f4ca5a00-7
0.346
KRI-MAR-d2e3ef86-2
0.345
MAT-POS-3b92565d-12
0.345
MAT-POS-c478e61b-1
0.345
BAR-COM-0f94fc3d-10
0.343
BAR-COM-0f94fc3d-8
0.325
DAR-DIA-093892e4-11
0.317
JAN-GHE-5a013bed-3
0.312
BAR-COM-0f94fc3d-29
0.311
ALP-POS-6d04362c-5
0.308
EDJ-MED-06d94977-2
0.306
BAR-COM-0f94fc3d-37
0.305
CHO-MSK-00c5269a-5
0.302
MAR-TRE-f5c2d31c-36
0.300
ALP-POS-8ed8d9ec-8
0.297
MAR-TRE-f5c2d31c-11
0.292
WIL-LEE-1f71e281-4
0.288
ALP-POS-bad7201a-7
0.286
MAT-POS-3b92565d-13
0.286
ALP-POS-6d04362c-4
0.286
BEN-DND-02317c5c-11
0.284
JIN-POS-6dc588a4-1
0.284
MAT-POS-bfb445d4-2
0.284
BEN-DND-61647d40-13
0.284
TAT-ENA-80bfd3e5-33
0.281
MAR-TRE-f5c2d31c-74
0.281
BAR-COM-0f94fc3d-33
0.271
AAR-POS-0daf6b7e-29
0.271
JOH-IMS-1436231f-6
0.271
JAG-UCB-cedd89ab-2
0.269
MAT-POS-6da3605a-2
0.269
PET-UNK-158bee2a-1
0.269
VLA-UNK-4cf5aa07-1
0.269
NAU-LAT-a5c7d7cb-11
0.268
DAR-DIA-2964957d-6
0.267
ARI-TAT-5792557e-6
0.267
JAN-GHE-f4ca5a00-18
0.267
CHO-MSK-00c5269a-2
0.264
MAR-TRE-fd17a9b8-97
0.264
ALP-POS-75715966-5
0.264
JAN-GHE-74b8b0cb-2
0.263
MAR-TRE-f5c2d31c-63
0.262
ALP-POS-bad7201a-15
0.260
CHO-MSK-00c5269a-3
0.260
ALP-POS-6d04362c-2
0.260
CHO-MSK-00c5269a-1
0.260
ALP-POS-bad7201a-1
0.260
MAR-TRE-f5c2d31c-85
0.260
EDJ-MED-50fe53e8-3
0.259
JAN-GHE-f4ca5a00-19
0.258
ALP-POS-75715966-1
0.258
BEN-DND-1e24cf73-3
0.257
JAN-GHE-f4ca5a00-10
0.256
MAR-TRE-f5c2d31c-81
0.256
VLA-UNK-4cf5aa07-2
0.255
MAT-POS-06036648-5
0.254
MAT-POS-06036648-7
0.254
MAR-TRE-f5c2d31c-57
0.254
MAR-TRE-f5c2d31c-39
0.254
MAR-TRE-f5c2d31c-54
0.254
MAR-TRE-b77b7921-8
0.254
PET-UNK-f92d7c0c-1
0.252
PET-UNK-f92d7c0c-6
0.252
MAT-POS-0c8fa4a7-3
0.252
JAN-GHE-83b26c96-9
0.252
ADA-UNI-f8e79267-11
0.252
DAR-DIA-093892e4-10
0.252
JAN-GHE-f4ca5a00-14
0.250
DAR-DIA-093892e4-12
0.250
JOH-UNI-abdb2f0c-3
0.250
ALP-POS-bad7201a-6
0.250
JOH-UNI-522b0723-10
0.250
ALP-POS-d0876c20-12
0.248
ALP-POS-ddb41b15-8
0.248
ALP-POS-a3de0cb1-11
0.248
JAN-GHE-f4ca5a00-5
0.248
MAR-TRE-f5c2d31c-18
0.248
MAR-TRE-f5c2d31c-42
0.248
MAT-POS-06036648-1
0.248
LUI-IND-a1be81af-2
0.248