Molecular Properties | |
SMILES: | Cn1ncc2c(=O)n(CC(=O)NC(C(=O)Nc3cncc4ccccc34)c3cccc(Cl)c3)cnc21 |
MW: | 501.13 |
Fraction sp3: | 0.12 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 123.8 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 23.7509200274471 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-02-17 |
Filter82_pyridinium
Dipeptide
EDJ-MED-ee07cf00-1
0.634
EDJ-MED-ee07cf00-7
0.623
EDJ-MED-ee07cf00-16
0.619
EDJ-MED-ee07cf00-17
0.590
EDJ-MED-ee07cf00-10
0.583
EDJ-MED-cf4b0d25-4
0.578
EDJ-MED-ee07cf00-14
0.575
EDJ-MED-ee07cf00-8
0.575
EDJ-MED-ee07cf00-18
0.573
EDJ-MED-ee07cf00-9
0.555
EDJ-MED-ee07cf00-12
0.552
EDJ-MED-cf4b0d25-5
0.548
EDJ-MED-ee07cf00-15
0.546
ALP-UNI-dbbfd3db-16
0.538
EDJ-MED-ee07cf00-2
0.536
EDJ-MED-cf4b0d25-1
0.529
EDJ-MED-ee07cf00-13
0.516
MAT-POS-a13804f0-1
0.516
EDJ-MED-ee07cf00-4
0.513
EDJ-MED-cf4b0d25-3
0.513
EDJ-MED-ee07cf00-5
0.512
EDJ-MED-ee07cf00-6
0.500
PET-UNK-1320d94d-1
0.500
PET-UNK-1320d94d-2
0.500
PET-UNK-1320d94d-8
0.496
PET-UNK-1320d94d-7
0.496
PET-UNK-1320d94d-5
0.488
PET-UNK-1320d94d-6
0.488
PET-UNK-ac320b15-9
0.480
PET-UNK-ac320b15-10
0.480
MAT-POS-8293a91a-6
0.480
MAT-POS-a13804f0-4
0.480
MAT-POS-7174c657-6
0.480
PET-UNK-ac320b15-5
0.480
PET-UNK-ac320b15-6
0.480
PET-UNK-ac320b15-7
0.480
PET-UNK-ac320b15-8
0.480
MAT-POS-8293a91a-2
0.480
MAT-POS-8293a91a-7
0.480
EDJ-MED-ee07cf00-11
0.480
MAT-POS-7174c657-5
0.480
VLA-UNK-9a7dc93f-7
0.477
PET-UNK-1320d94d-9
0.476
PET-UNK-1320d94d-10
0.476
PET-UNK-1320d94d-3
0.469
PET-UNK-1320d94d-4
0.469
MAK-UNK-ffc90da7-7
0.457
MAT-POS-d8472c4f-2
0.452
EDJ-MED-cf4b0d25-2
0.446
MIC-UNK-5a93dd5f-4
0.442
MIC-UNK-5a93dd5f-8
0.441
MIC-UNK-d36ab305-1
0.440
MAK-UNK-c749d764-6
0.437
MAK-UNK-ffc90da7-1
0.437
MIC-UNK-d36ab305-4
0.436
MIC-UNK-6ab519a7-1
0.435
NIR-THE-590dedc7-1
0.435
MIC-UNK-5a93dd5f-10
0.435
NAU-LAT-a5c7d7cb-2
0.435
JOH-UNI-3fc3434e-6
0.430
JOH-UNI-ee5ed7c8-6
0.430
MIC-UNK-5a93dd5f-6
0.430
MAT-POS-1f3f1a6f-3
0.429
MIC-UNK-5a93dd5f-2
0.420
MIC-UNK-5a93dd5f-1
0.420
MIC-UNK-5a93dd5f-9
0.418
PET-UNK-1320d94d-21
0.413
PET-UNK-1320d94d-22
0.413
MIC-UNK-5a93dd5f-11
0.411
MIC-UNK-5a93dd5f-5
0.408
MIC-UNK-c66144cb-3
0.407
ALP-POS-3b848b35-4
0.407
MIC-UNK-c66144cb-2
0.405
MIC-UNK-5a93dd5f-7
0.405
MAT-POS-fce787c2-5
0.402
MIC-UNK-c66144cb-1
0.402
PET-UNK-1320d94d-27
0.402
PET-UNK-1320d94d-28
0.402
MAK-UNK-ffc90da7-4
0.400
MAK-UNK-c749d764-22
0.400
PET-UNK-1320d94d-25
0.398
PET-UNK-1320d94d-26
0.398
PET-UNK-1320d94d-29
0.397
PET-UNK-1320d94d-30
0.397
MIC-UNK-bcd487e9-10
0.397
MAT-POS-de59a476-5
0.397
ADA-UCB-6c2cb422-1
0.394
MIC-UNK-5a93dd5f-3
0.394
ALP-POS-a9ad2217-2
0.393
PET-UNK-10339a1d-1
0.393
MIC-UNK-bcd487e9-9
0.390
NAU-LAT-2fed8305-2
0.389
ALP-POS-f13221e1-2
0.389
MAT-POS-fce787c2-10
0.388
MIC-UNK-5a93dd5f-12
0.388
PET-UNK-1320d94d-23
0.387
PET-UNK-1320d94d-24
0.387
MAT-POS-1f3f1a6f-4
0.387
PET-UNK-ac320b15-1
0.386
PET-UNK-ac320b15-2
0.386