Molecular Properties | |
SMILES: | Cn1c(=O)ccn(CC(=O)NC(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)c1=O |
MW: | 477.12 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 115.09 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 11.3094104721024 |
IC50 (µM) - RapidFire: | 15.7719230180264 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-02-17 |
Filter82_pyridinium
Dipeptide
EDJ-MED-ee07cf00-7
0.692
EDJ-MED-ee07cf00-16
0.673
EDJ-MED-cf4b0d25-4
0.652
EDJ-MED-ee07cf00-8
0.636
EDJ-MED-ee07cf00-3
0.634
EDJ-MED-ee07cf00-18
0.606
EDJ-MED-ee07cf00-10
0.602
EDJ-MED-ee07cf00-17
0.595
EDJ-MED-cf4b0d25-5
0.594
EDJ-MED-ee07cf00-9
0.586
EDJ-MED-ee07cf00-12
0.583
EDJ-MED-ee07cf00-14
0.579
EDJ-MED-ee07cf00-15
0.577
EDJ-MED-cf4b0d25-1
0.573
EDJ-MED-ee07cf00-4
0.557
EDJ-MED-ee07cf00-5
0.554
EDJ-MED-ee07cf00-2
0.551
EDJ-MED-cf4b0d25-3
0.542
EDJ-MED-ee07cf00-13
0.530
MAT-POS-a13804f0-1
0.530
PET-UNK-1320d94d-2
0.527
PET-UNK-1320d94d-1
0.527
PET-UNK-1320d94d-8
0.522
PET-UNK-1320d94d-7
0.522
PET-UNK-1320d94d-5
0.513
PET-UNK-1320d94d-6
0.513
EDJ-MED-ee07cf00-6
0.513
MAK-UNK-ffc90da7-7
0.509
VLA-UNK-9a7dc93f-7
0.505
MAT-POS-7174c657-5
0.504
MAT-POS-8293a91a-2
0.504
MAT-POS-7174c657-6
0.504
EDJ-MED-ee07cf00-11
0.504
PET-UNK-ac320b15-5
0.504
PET-UNK-ac320b15-6
0.504
PET-UNK-ac320b15-8
0.504
PET-UNK-ac320b15-10
0.504
PET-UNK-ac320b15-7
0.504
MAT-POS-8293a91a-6
0.504
MAT-POS-8293a91a-7
0.504
PET-UNK-ac320b15-9
0.504
MAT-POS-a13804f0-4
0.504
PET-UNK-1320d94d-3
0.504
PET-UNK-1320d94d-4
0.504
ALP-UNI-dbbfd3db-18
0.504
PET-UNK-1320d94d-10
0.500
PET-UNK-1320d94d-9
0.500
MAT-POS-d8472c4f-2
0.487
MAK-UNK-ffc90da7-1
0.486
MAK-UNK-c749d764-6
0.486
MAT-POS-1f3f1a6f-3
0.480
MIC-UNK-5a93dd5f-4
0.477
MIC-UNK-5a93dd5f-6
0.477
MIC-UNK-5a93dd5f-8
0.477
MIC-UNK-d36ab305-4
0.472
MIC-UNK-6ab519a7-1
0.472
NIR-THE-590dedc7-1
0.472
NAU-LAT-a5c7d7cb-2
0.472
MIC-UNK-5a93dd5f-10
0.472
MIC-UNK-5a93dd5f-1
0.468
MIC-UNK-5a93dd5f-2
0.468
EDJ-MED-cf4b0d25-2
0.467
JOH-UNI-ee5ed7c8-6
0.467
JOH-UNI-3fc3434e-6
0.467
MIC-UNK-d36ab305-1
0.463
MIC-UNK-5a93dd5f-9
0.451
MIC-UNK-5a93dd5f-7
0.448
ADA-UCB-6c2cb422-1
0.444
MIC-UNK-5a93dd5f-11
0.443
MIC-UNK-5a93dd5f-5
0.440
MIC-UNK-c66144cb-3
0.439
ALP-POS-3b848b35-4
0.439
MIC-UNK-c66144cb-2
0.438
MAT-POS-fce787c2-5
0.437
MIC-UNK-c66144cb-1
0.434
PET-UNK-1320d94d-22
0.432
PET-UNK-1320d94d-21
0.432
ALP-POS-f13221e1-3
0.431
MAK-UNK-ffc90da7-4
0.430
MAK-UNK-c749d764-22
0.430
MIC-UNK-bcd487e9-10
0.429
MIC-UNK-16ccb665-3
0.425
MIC-UNK-5a93dd5f-3
0.424
MAT-POS-281d2ee9-1
0.422
EDJ-MED-43f8f7d6-3
0.421
RAL-THA-a9c31980-3
0.421
JOH-UNI-6b98e24c-1
0.421
MIC-UNK-bcd487e9-9
0.421
PET-UNK-1320d94d-27
0.419
PET-UNK-1320d94d-28
0.419
MAT-POS-1f3f1a6f-4
0.418
MIC-UNK-5a93dd5f-12
0.417
PET-UNK-1320d94d-26
0.416
PET-UNK-1320d94d-25
0.416
PET-UNK-1320d94d-23
0.414
PET-UNK-1320d94d-24
0.414
MAT-POS-fce787c2-2
0.410
ALP-POS-f13221e1-2
0.410
PET-UNK-10339a1d-1
0.409
ALP-POS-a9ad2217-2
0.409