Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Nc3cncc4ccccc34)c2)N1 |
MW: | 492.19 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 83.56 |
cLogP: | 6.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.316405123137721 |
IC50 (µM) - RapidFire: | 1.57531222114502 |
Order Status | |
Shipped: | 2020-12-09 |
betalactam
b-lactam
ALF-EVA-650655fc-3
0.957
ALF-EVA-650655fc-2
0.935
ALF-EVA-650655fc-1
0.912
ALF-EVA-650655fc-6
0.822
ALF-EVA-650655fc-7
0.808
ALF-EVA-650655fc-8
0.806
ALF-EVA-650655fc-4
0.781
ALF-EVA-650655fc-5
0.721
DAR-DIA-1d7f034a-1
0.683
MAR-UCB-ad2ff052-3
0.683
VLA-UCB-05e51b3f-14
0.634
EDJ-MED-c314995a-1
0.634
RYA-UNI-8a7f7a0d-1
0.611
MIC-UNK-cdc2493e-1
0.598
ADA-UCB-dc2b944c-3
0.579
ADA-UCB-dc2b944c-17
0.579
ALP-POS-3b848b35-2
0.561
MAT-POS-3b92565d-3
0.561
EDJ-MED-7320d5d2-1
0.561
ADA-UCB-dc2b944c-2
0.559
MAT-UCB-93f6aed8-1
0.517
MAT-POS-136e7878-2
0.509
MIC-UNK-bcd487e9-2
0.505
MAR-UCB-ad2ff052-2
0.500
DAR-DIA-667e571f-7
0.500
MAT-POS-53907a1c-2
0.491
VLA-UCB-05e51b3f-12
0.485
VLA-UCB-50c39ae8-9
0.485
FRA-DIA-b66f7109-2
0.483
FRA-DIA-b66f7109-4
0.483
MAT-POS-9ff17035-1
0.478
VLA-UCB-34f3ed0c-6
0.478
MIC-UNK-cdc2493e-15
0.474
MIC-UNK-bcd487e9-3
0.473
RAY-UNI-5365d7e5-1
0.466
MIC-UNK-cdc2493e-2
0.461
PET-UNK-cf04cb02-1
0.460
FRA-DIA-b66f7109-1
0.458
EDJ-MED-50011917-2
0.457
PET-UNK-a17c93d1-1
0.457
FRA-DIA-b66f7109-3
0.455
ERI-UCB-ce40166b-5
0.436
MIC-UNK-c66144cb-3
0.436
ALP-POS-3b848b35-4
0.436
MAR-UCB-ad2ff052-1
0.434
MIC-UNK-bcd487e9-4
0.431
MIC-UNK-bcd487e9-6
0.431
VLA-UCB-34f3ed0c-13
0.427
ALF-EVA-0b412456-4
0.425
ADA-UCB-dc2b944c-6
0.425
ALF-EVA-0b412456-1
0.424
MAT-UCB-93f6aed8-2
0.424
MIC-UNK-cdc2493e-3
0.421
MIC-UNK-cdc2493e-19
0.421
MIC-UNK-cdc2493e-23
0.421
ALF-EVA-0b412456-7
0.419
EDJ-MED-50011917-1
0.417
ALP-POS-3fc1724e-5
0.416
RAL-THA-065e0743-2
0.415
VLA-UCB-05e51b3f-13
0.414
VLA-UCB-50c39ae8-10
0.414
DAR-DIA-6a508060-9
0.414
MAT-POS-173a45da-1
0.414
MIC-UNK-cdc2493e-5
0.414
ALF-EVA-0b412456-3
0.413
MIC-UNK-cdc2493e-6
0.412
MAT-POS-136e7878-1
0.412
MIC-UNK-cdc2493e-22
0.412
VLA-UCB-50c39ae8-8
0.411
VLA-UCB-05e51b3f-11
0.411
MIC-UNK-cdc2493e-16
0.410
MIC-UNK-cdc2493e-24
0.410
ALF-EVA-0b412456-2
0.410
ALF-EVA-0b412456-5
0.410
ALF-EVA-0b412456-6
0.410
MIC-UNK-cdc2493e-7
0.408
DAR-DIA-0587064e-3
0.405
MIC-UNK-cdc2493e-4
0.402
MIC-UNK-bcd487e9-10
0.402
MIC-UNK-cdc2493e-8
0.402
MIC-UNK-cdc2493e-13
0.402
EDJ-MED-50011917-3
0.400
MIC-UNK-cdc2493e-20
0.398
MIC-UNK-bcd487e9-7
0.398
ALF-EVA-0b412456-8
0.397
ALP-POS-fab80cf2-1
0.397
ADA-UCB-dc2b944c-18
0.397
MIC-UNK-bcd487e9-5
0.397
MIC-UNK-cdc2493e-11
0.397
MIC-UNK-cdc2493e-14
0.395
MIC-UNK-bcd487e9-1
0.395
MIC-UNK-cdc2493e-17
0.393
MIC-UNK-cdc2493e-12
0.390
VLA-UCB-34f3ed0c-7
0.388
RYA-UNI-14580791-1
0.388
DAR-DIA-53551c05-11
0.388
RAL-THA-2d450e86-18
0.387
MAT-POS-3b92565d-2
0.387
ALP-POS-3b848b35-1
0.387
MIC-UNK-bcd487e9-8
0.387