Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1 |
MW: | 427.09 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 109.52 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.10393292635693 |
IC50 (µM) - RapidFire: | 1.18013641260052 |
Order Status | |
Ordered: | 2020-07-09 |
Synthesis Location: | wuxi |
Shipped: | 2020-09-01 |
betalactam
Aliphatic long chain
b-lactam
AAR-POS-d2a4d1df-1
ALP-POS-3fc1724e-2
1.000
ERI-UCB-ce40166b-18
0.872
ERI-UCB-ce40166b-13
0.733
ERI-UCB-ce40166b-20
0.660
ERI-UCB-ce40166b-14
0.653
ERI-UCB-ce40166b-19
0.649
NAU-LAT-a5c7d7cb-7
0.629
BEN-DND-7e92b6ca-5
0.612
ALP-POS-05819dc4-1
0.531
ALP-POS-3fc1724e-1
0.531
ERI-UCB-ce40166b-16
0.524
MAT-POS-916a2c5a-2
0.516
ERI-UCB-ce40166b-15
0.515
MAT-UCB-70f7c0f7-1
0.490
MAT-POS-3b92565d-6
0.467
MAT-UCB-70f7c0f7-2
0.455
DAR-DIA-53551c05-15
0.449
BEN-DND-7e92b6ca-4
0.447
BEN-DND-7e92b6ca-3
0.439
DAR-DIA-8e329c92-9
0.434
ADA-UCB-b1b30a00-1
0.427
NAU-LAT-56d5284e-6
0.423
ERI-UCB-ce40166b-21
0.422
MAR-UCB-f313ec4d-4
0.422
MAT-POS-54c4bf04-1
0.417
DAR-DIA-8e329c92-10
0.417
JAN-GHE-82a280f8-3
0.411
MAT-POS-590ac91e-42
0.406
DAR-DIA-8e329c92-12
0.396
NAU-LAT-56d5284e-4
0.396
NAU-LAT-56d5284e-7
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DAR-DIA-8e329c92-11
0.393
ALP-POS-a30bcdb4-1
0.391
ALP-UNI-ed5cdfd2-7
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DAR-DIA-8e329c92-4
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MAT-UCB-70f7c0f7-4
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JAN-GHE-82a280f8-2
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ADA-UCB-b1b30a00-2
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RAL-THA-065e0743-2
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ALP-POS-bea7b391-1
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JAN-GHE-74b8b0cb-1
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DAR-DIA-53551c05-16
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MAT-POS-3b92565d-9
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MAT-UCB-70f7c0f7-3
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MAT-POS-3b92565d-3
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EDJ-MED-7320d5d2-1
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ALP-POS-3b848b35-2
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NAU-LAT-56d5284e-1
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KRI-MAR-d2e3ef86-12
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MAT-POS-590ac91e-53
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MAT-POS-590ac91e-32
0.358
DAR-DIA-8e329c92-6
0.358
DAR-DIA-8e329c92-13
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BEN-DND-b89db3f2-3
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NAU-LAT-56d5284e-2
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NAU-LAT-56d5284e-3
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ERI-UCB-a0b0dbcb-12
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ERI-UCB-ce40166b-5
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KRI-MAR-d2e3ef86-15
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VLA-UCB-eb340134-1
0.342
DAR-DIA-8e329c92-5
0.342
ERI-UCB-a0b0dbcb-2
0.336
ERI-UCB-d6de1f3c-1
0.336
NAU-LAT-56d5284e-8
0.336
VLA-UCB-eb340134-3
0.336
EDJ-MED-edeb0d3a-1
0.336
BEN-DND-b89db3f2-5
0.336
MAT-POS-3b92565d-12
0.336
MAT-POS-c478e61b-1
0.336
JAN-GHE-74b8b0cb-2
0.336
ALP-UNI-ed5cdfd2-4
0.333
DAR-DIA-8e329c92-7
0.331
ALP-POS-fc6c627f-3
0.331
NAU-LAT-56d5284e-5
0.330
ALF-EVA-650655fc-1
0.328
EDJ-MED-bbe8e3da-2
0.328
MAT-POS-3b536971-1
0.327
EDJ-MED-edeb0d3a-2
0.327
EDJ-MED-d1cd9639-1
0.327
VLA-UCB-eb340134-4
0.327
NAU-LAT-a5c7d7cb-9
0.327
BEN-DND-7e92b6ca-6
0.327
ALP-POS-a30bcdb4-2
0.325
UNK-UNK-2ede4078-28
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DAR-DIA-667e571f-1
0.322
BEN-DND-7e92b6ca-2
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KRI-MAR-d2e3ef86-5
0.321
BEN-DND-7e92b6ca-16
0.321
BEN-DND-7e92b6ca-10
0.321
VLA-UNK-eaa804fd-3
0.319
EDJ-MED-6af13d92-3
0.318
BEN-DND-7e92b6ca-9
0.318
ALP-UNI-ed5cdfd2-5
0.318
ALP-UNI-ed5cdfd2-8
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ALF-EVA-650655fc-2
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RYA-UNI-8a7f7a0d-1
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MAT-POS-590ac91e-47
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MAT-POS-590ac91e-46
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DAR-DIA-8e329c92-8
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ALP-POS-3fc1724e-4
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