Molecular Properties | |
SMILES: | O=C(Cn1ncn2nccc2c1=O)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 487.12 |
Fraction sp3: | 0.08 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 123.28 |
cLogP: | 2.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 19.5151842841623 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-02-24 |
Filter82_pyridinium
Dipeptide
EDJ-MED-ee07cf00-14
0.619
EDJ-MED-ee07cf00-10
0.615
EDJ-MED-cf4b0d25-4
0.598
EDJ-MED-ee07cf00-1
0.595
EDJ-MED-ee07cf00-16
0.595
EDJ-MED-ee07cf00-3
0.590
EDJ-MED-ee07cf00-18
0.589
EDJ-MED-ee07cf00-9
0.584
EDJ-MED-ee07cf00-7
0.584
EDJ-MED-ee07cf00-12
0.582
EDJ-MED-ee07cf00-8
0.578
EDJ-MED-cf4b0d25-5
0.564
EDJ-MED-ee07cf00-15
0.561
EDJ-MED-cf4b0d25-1
0.558
EDJ-MED-cf4b0d25-3
0.556
EDJ-MED-ee07cf00-5
0.553
EDJ-MED-ee07cf00-2
0.550
EDJ-MED-ee07cf00-4
0.527
PET-UNK-1320d94d-7
0.522
PET-UNK-1320d94d-8
0.522
KAD-UNI-8a629cb0-37
0.516
ALP-UNI-dbbfd3db-9
0.516
PET-UNK-1320d94d-1
0.513
PET-UNK-1320d94d-2
0.513
PET-UNK-1320d94d-5
0.513
PET-UNK-1320d94d-6
0.513
EDJ-MED-ee07cf00-6
0.512
PET-UNK-ac320b15-9
0.504
EDJ-MED-ee07cf00-13
0.504
MAT-POS-a13804f0-4
0.504
MAT-POS-a13804f0-1
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
MAT-POS-8293a91a-2
0.504
MAT-POS-8293a91a-6
0.504
MAT-POS-8293a91a-7
0.504
MAT-POS-7174c657-6
0.504
PET-UNK-ac320b15-7
0.504
EDJ-MED-ee07cf00-11
0.504
MAT-POS-7174c657-5
0.504
PET-UNK-1320d94d-9
0.500
PET-UNK-1320d94d-10
0.500
PET-UNK-1320d94d-3
0.492
PET-UNK-1320d94d-4
0.492
MAT-POS-d8472c4f-2
0.475
EDJ-MED-cf4b0d25-2
0.468
VLA-UNK-9a7dc93f-7
0.462
MAK-UNK-ffc90da7-7
0.455
JOH-UNI-3fc3434e-6
0.454
JOH-UNI-ee5ed7c8-6
0.454
MIC-UNK-5a93dd5f-10
0.445
NAU-LAT-a5c7d7cb-2
0.445
MIC-UNK-6ab519a7-1
0.445
NIR-THE-590dedc7-1
0.445
MIC-UNK-5a93dd5f-1
0.442
MIC-UNK-5a93dd5f-2
0.442
MIC-UNK-5a93dd5f-4
0.440
MIC-UNK-5a93dd5f-6
0.440
MAT-POS-1f3f1a6f-3
0.439
MIC-UNK-5a93dd5f-8
0.439
MIC-UNK-d36ab305-1
0.438
MAK-UNK-ffc90da7-1
0.435
MAK-UNK-c749d764-6
0.435
MIC-UNK-c66144cb-1
0.435
MIC-UNK-d36ab305-4
0.434
MIC-UNK-5a93dd5f-5
0.429
MIC-UNK-c66144cb-3
0.427
MIC-UNK-5a93dd5f-9
0.427
ALP-POS-3b848b35-4
0.427
MIC-UNK-c66144cb-2
0.426
PET-UNK-1320d94d-21
0.421
PET-UNK-1320d94d-22
0.421
MIC-UNK-5a93dd5f-11
0.420
MAK-UNK-c749d764-22
0.419
MAK-UNK-ffc90da7-4
0.419
ADA-UCB-6c2cb422-1
0.417
MIC-UNK-5a93dd5f-3
0.413
MIC-UNK-5a93dd5f-7
0.413
MAT-POS-fce787c2-5
0.411
PET-UNK-1320d94d-27
0.409
PET-UNK-1320d94d-28
0.409
MAT-POS-1f3f1a6f-4
0.407
MIC-UNK-5a93dd5f-12
0.407
PET-UNK-1320d94d-25
0.406
PET-UNK-1320d94d-26
0.406
ALP-POS-f13221e1-3
0.406
MAT-POS-de59a476-5
0.405
PET-UNK-1320d94d-17
0.403
PET-UNK-1320d94d-18
0.403
ALP-POS-a9ad2217-2
0.400
MIC-UNK-cdc2493e-23
0.400
PET-UNK-10339a1d-1
0.400
ALP-POS-f13221e1-2
0.398
NAU-LAT-2fed8305-2
0.398
MAT-POS-fce787c2-4
0.396
MAT-POS-fce787c2-3
0.396
MAT-POS-de59a476-1
0.396
RAL-THA-c9f97604-2
0.395