Molecular Properties | |
SMILES: | CN(C)C(=O)COCC(=O)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 454.14 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.63 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.40617223103952 |
Order Status | |
Ordered: | 2021-03-02 |
Synthesis Location: | enamine |
Shipped: | 2021-04-21 |
Long aliphatic chain
Dipeptide
EDJ-MED-cf4b0d25-1
0.732
EDJ-MED-ee07cf00-12
0.677
EDJ-MED-cf4b0d25-4
0.670
EDJ-MED-ee07cf00-10
0.600
PET-UNK-1320d94d-1
0.596
PET-UNK-1320d94d-2
0.596
EDJ-MED-ee07cf00-1
0.594
EDJ-MED-ee07cf00-16
0.594
EDJ-MED-ee07cf00-5
0.594
EDJ-MED-ee07cf00-15
0.589
EDJ-MED-ee07cf00-4
0.584
EDJ-MED-ee07cf00-7
0.583
EDJ-MED-ee07cf00-9
0.583
EDJ-MED-ee07cf00-8
0.577
EDJ-MED-ee07cf00-18
0.574
EDJ-MED-cf4b0d25-3
0.569
EDJ-MED-ee07cf00-17
0.564
EDJ-MED-ee07cf00-14
0.562
EDJ-MED-ee07cf00-2
0.548
EDJ-MED-ee07cf00-3
0.548
MAT-POS-d8472c4f-2
0.536
PET-UNK-1320d94d-7
0.532
PET-UNK-1320d94d-8
0.532
VLA-UNK-9a7dc93f-7
0.532
EDJ-MED-ee07cf00-13
0.527
MAT-POS-a13804f0-1
0.527
PET-UNK-1320d94d-5
0.523
PET-UNK-1320d94d-6
0.523
EDJ-MED-ee07cf00-6
0.522
MAT-POS-7174c657-5
0.513
MAT-POS-7174c657-6
0.513
MAT-POS-a13804f0-4
0.513
PET-UNK-ac320b15-6
0.513
PET-UNK-ac320b15-7
0.513
PET-UNK-ac320b15-8
0.513
PET-UNK-ac320b15-9
0.513
PET-UNK-ac320b15-10
0.513
MAT-POS-8293a91a-2
0.513
MAT-POS-8293a91a-6
0.513
MAT-POS-8293a91a-7
0.513
EDJ-MED-ee07cf00-11
0.513
PET-UNK-ac320b15-5
0.513
PET-UNK-1320d94d-10
0.509
PET-UNK-1320d94d-9
0.509
JOH-UNI-3fc3434e-6
0.505
JOH-UNI-ee5ed7c8-6
0.505
MAK-UNK-ffc90da7-7
0.505
PET-UNK-1320d94d-4
0.500
MIC-UNK-c66144cb-3
0.500
PET-UNK-1320d94d-3
0.500
ALP-POS-3b848b35-4
0.500
MIC-UNK-5a93dd5f-8
0.500
MAK-UNK-ffc90da7-1
0.495
MAK-UNK-c749d764-6
0.495
MIC-UNK-d36ab305-4
0.495
PET-UNK-1320d94d-22
0.491
PET-UNK-1320d94d-21
0.491
MAT-POS-1f3f1a6f-3
0.490
EDJ-MED-cf4b0d25-2
0.487
MIC-UNK-5a93dd5f-6
0.486
MIC-UNK-5a93dd5f-9
0.486
NIR-THE-590dedc7-1
0.480
MIC-UNK-5a93dd5f-10
0.480
NAU-LAT-a5c7d7cb-2
0.480
MIC-UNK-6ab519a7-1
0.480
MIC-UNK-5a93dd5f-4
0.472
MIC-UNK-c66144cb-2
0.472
MIC-UNK-d36ab305-1
0.471
MIC-UNK-5a93dd5f-7
0.468
MIC-UNK-c66144cb-1
0.467
MIC-UNK-5a93dd5f-1
0.462
MIC-UNK-5a93dd5f-2
0.462
MAT-POS-fce787c2-5
0.459
ALP-POS-f13221e1-2
0.459
PET-UNK-1320d94d-12
0.456
PET-UNK-1320d94d-11
0.456
MAT-POS-fce787c2-10
0.453
ADA-UCB-6c2cb422-1
0.453
MAT-POS-1f3f1a6f-4
0.452
PET-UNK-1320d94d-27
0.449
PET-UNK-1320d94d-28
0.449
MIC-UNK-5a93dd5f-12
0.447
MIC-UNK-5a93dd5f-5
0.446
PET-UNK-1320d94d-26
0.445
PET-UNK-1320d94d-25
0.445
MAT-POS-1f3f1a6f-2
0.440
NAU-LAT-2fed8305-1
0.439
ALP-POS-f13221e1-3
0.439
PET-UNK-10339a1d-1
0.438
ALP-POS-a9ad2217-2
0.438
MIC-UNK-5a93dd5f-11
0.438
MAT-POS-fc9ede84-1
0.437
MAT-POS-de59a476-5
0.437
MAK-UNK-c749d764-22
0.436
MAK-UNK-ffc90da7-4
0.436
MAT-POS-fce787c2-11
0.434
PET-UNK-1320d94d-23
0.431
PET-UNK-1320d94d-29
0.431
PET-UNK-1320d94d-30
0.431
PET-UNK-1320d94d-24
0.431