Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(CC(=O)Nn3cnc4ccccc4c3=O)c2)N1 |
MW: | 398.08 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.32 |
cLogP: | 1.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-548-087 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-07-09 |
Synthesis Location: | enamine |
Shipped: | 2020-08-05 |
betalactam
Singel acyclic N-N bonds
b-lactam
MAT-POS-c478e61b-1
0.681
MAT-POS-3b92565d-12
0.681
JAN-GHE-74b8b0cb-2
0.594
JAN-GHE-5a013bed-3
0.563
RAL-THA-065e0743-2
0.545
MAT-POS-3b92565d-9
0.520
ALP-POS-a30bcdb4-1
0.510
EDJ-MED-7320d5d2-1
0.500
MAT-POS-3b92565d-3
0.500
ALP-POS-3b848b35-2
0.500
MAT-POS-3b92565d-6
0.490
TRY-UNI-2eddb1ff-7
0.460
WIL-MOD-03b86a88-1
0.460
BEN-DND-b89db3f2-3
0.459
JAN-GHE-f4ca5a00-8
0.458
ALF-EVA-0b412456-1
0.439
MAT-POS-3b92565d-11
0.439
ALF-EVA-0b412456-5
0.436
ALF-EVA-0b412456-4
0.427
ALF-EVA-0b412456-3
0.427
ALF-EVA-0b412456-2
0.423
ALF-EVA-0b412456-6
0.423
ALF-EVA-0b412456-7
0.421
JAN-GHE-f4ca5a00-5
0.419
MAT-POS-9ff17035-1
0.418
MAT-POS-c478e61b-2
0.415
ALF-EVA-0b412456-8
0.409
UNK-UNK-2ede4078-25
0.406
KRI-MAR-d2e3ef86-19
0.406
DAR-DIA-667e571f-1
0.400
PET-UNK-cf04cb02-1
0.398
JAN-GHE-f4ca5a00-2
0.389
ERI-UCB-ce40166b-5
0.387
JAN-GHE-f4ca5a00-10
0.381
BAR-COM-0f94fc3d-12
0.379
MAT-POS-06036648-7
0.377
ERI-UCB-ce40166b-17
0.368
ALP-POS-3fc1724e-2
0.368
DAR-DIA-23e5a6a0-30
0.361
DAR-DIA-667e571f-4
0.359
ALF-EVA-650655fc-1
0.356
DAR-DIA-23e5a6a0-24
0.355
DAR-DIA-667e571f-3
0.350
DAR-DIA-667e571f-7
0.350
ALF-EVA-650655fc-2
0.344
DAR-DIA-667e571f-2
0.344
MAT-POS-53907a1c-3
0.344
ALP-POS-a30bcdb4-2
0.341
DAR-DIA-667e571f-5
0.341
DAR-DIA-23e5a6a0-26
0.339
ALF-EVA-650655fc-3
0.339
ALF-EVA-650655fc-8
0.333
DAR-DIA-23e5a6a0-22
0.333
DAR-DIA-667e571f-6
0.333
RYA-UNI-8a7f7a0d-1
0.333
ALF-EVA-650655fc-4
0.331
RAL-THA-901e9a10-6
0.330
RAL-THA-901e9a10-5
0.330
MAT-POS-3b92565d-8
0.330
ALF-EVA-650655fc-6
0.328
MAR-UCB-ad2ff052-2
0.325
TRY-UNI-69298daf-6
0.322
MAR-UCB-ad2ff052-1
0.321
RAL-THA-901e9a10-1
0.321
JAN-GHE-5a013bed-2
0.320
ERI-UCB-ce40166b-6
0.319
DAR-DIA-0587064e-3
0.319
ALF-EVA-650655fc-7
0.318
ALP-POS-3fc1724e-6
0.317
DAR-DIA-23e5a6a0-28
0.316
TRY-UNI-2eddb1ff-8
0.315
RAL-THA-901e9a10-2
0.315
ERI-UCB-ce40166b-18
0.314
EDJ-MED-50011917-2
0.314
MAT-POS-3b92565d-5
0.312
DAR-DIA-53551c05-15
0.310
DAR-DIA-53551c05-11
0.310
WIL-MOD-03b86a88-4
0.309
TRY-UNI-2eddb1ff-6
0.307
RAL-THA-901e9a10-3
0.307
RAL-THA-901e9a10-4
0.307
FRA-DIA-b66f7109-3
0.306
FRA-DIA-b66f7109-1
0.306
FRA-DIA-b66f7109-2
0.306
RAL-MED-2de63afb-14
0.305
RAL-MED-2de63afb-6
0.304
ERI-UCB-ce40166b-9
0.303
ALF-EVA-650655fc-5
0.301
TRY-UNI-69298daf-4
0.301
DAR-DIA-53551c05-13
0.299
JAN-GHE-5a013bed-4
0.299
MAR-UCB-ad2ff052-3
0.298
DAR-DIA-1d7f034a-1
0.298
JAN-GHE-f4ca5a00-15
0.298
MAT-POS-3b92565d-10
0.296
ALP-POS-3b848b35-1
0.296
RAL-THA-2d450e86-18
0.296
MAR-TRE-3e4e6814-41
0.296
MAT-POS-3b92565d-2
0.296
ERI-UCB-ce40166b-1
0.296