Molecular Properties | |
SMILES: | O=C(COCC(=O)N1CCCC1)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 480.16 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.63 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 7.40946834170677 |
Order Status | |
Ordered: | 2021-03-02 |
Synthesis Location: | enamine |
Shipped: | 2021-04-07 |
Long aliphatic chain
Dipeptide
EDJ-MED-cf4b0d25-5
0.732
EDJ-MED-ee07cf00-12
0.635
PET-UNK-1320d94d-7
0.629
PET-UNK-1320d94d-8
0.629
EDJ-MED-cf4b0d25-4
0.624
PET-UNK-ac320b15-5
0.606
PET-UNK-ac320b15-7
0.606
PET-UNK-ac320b15-8
0.606
PET-UNK-ac320b15-9
0.606
MAT-POS-a13804f0-4
0.606
MAT-POS-8293a91a-2
0.606
MAT-POS-8293a91a-6
0.606
MAT-POS-7174c657-6
0.606
MAT-POS-8293a91a-7
0.606
PET-UNK-ac320b15-6
0.606
PET-UNK-ac320b15-10
0.606
MAT-POS-7174c657-5
0.606
EDJ-MED-ee07cf00-11
0.606
PET-UNK-1320d94d-9
0.600
PET-UNK-1320d94d-10
0.600
EDJ-MED-ee07cf00-14
0.598
EDJ-MED-ee07cf00-18
0.596
EDJ-MED-ee07cf00-10
0.593
EDJ-MED-ee07cf00-4
0.592
PET-UNK-1320d94d-6
0.587
PET-UNK-1320d94d-5
0.587
EDJ-MED-ee07cf00-16
0.587
EDJ-MED-cf4b0d25-3
0.577
EDJ-MED-ee07cf00-1
0.573
EDJ-MED-ee07cf00-5
0.573
EDJ-MED-ee07cf00-8
0.570
EDJ-MED-ee07cf00-15
0.568
EDJ-MED-ee07cf00-7
0.562
EDJ-MED-ee07cf00-9
0.562
EDJ-MED-cf4b0d25-2
0.561
EDJ-MED-ee07cf00-17
0.558
MAT-POS-a13804f0-1
0.549
EDJ-MED-ee07cf00-13
0.549
EDJ-MED-ee07cf00-2
0.542
PET-UNK-1320d94d-4
0.534
PET-UNK-1320d94d-3
0.534
PET-UNK-1320d94d-1
0.532
PET-UNK-1320d94d-2
0.532
EDJ-MED-ee07cf00-3
0.529
NAU-LAT-a5c7d7cb-2
0.505
NIR-THE-590dedc7-1
0.505
MIC-UNK-6ab519a7-1
0.505
MIC-UNK-5a93dd5f-10
0.505
MAT-POS-d8472c4f-2
0.504
EDJ-MED-ee07cf00-6
0.504
JOH-UNI-3fc3434e-6
0.500
JOH-UNI-ee5ed7c8-6
0.500
PET-UNK-1320d94d-27
0.496
PET-UNK-1320d94d-28
0.496
MIC-UNK-5a93dd5f-12
0.496
VLA-UNK-9a7dc93f-7
0.495
PET-UNK-1320d94d-17
0.491
PET-UNK-1320d94d-18
0.491
MIC-UNK-5a93dd5f-11
0.486
MIC-UNK-5a93dd5f-1
0.486
MIC-UNK-5a93dd5f-2
0.486
MAK-UNK-ffc90da7-7
0.486
PET-UNK-10339a1d-1
0.483
ALP-POS-a9ad2217-2
0.483
MIC-UNK-5a93dd5f-4
0.482
MIC-UNK-c66144cb-3
0.482
ALP-POS-3b848b35-4
0.482
MIC-UNK-5a93dd5f-8
0.481
PET-UNK-1320d94d-29
0.475
PET-UNK-1320d94d-30
0.475
ALP-POS-a9ad2217-1
0.471
PET-UNK-1320d94d-19
0.471
PET-UNK-1320d94d-20
0.471
MIC-UNK-5a93dd5f-6
0.468
MIC-UNK-5a93dd5f-9
0.468
PET-UNK-1320d94d-25
0.467
PET-UNK-1320d94d-26
0.467
PET-UNK-ac320b15-1
0.466
PET-UNK-ac320b15-2
0.466
MIC-UNK-5a93dd5f-3
0.465
MAK-UNK-c749d764-6
0.464
MAK-UNK-ffc90da7-1
0.464
MAT-POS-1f3f1a6f-3
0.456
MIC-UNK-5a93dd5f-5
0.456
MIC-UNK-c66144cb-2
0.455
PET-UNK-1320d94d-15
0.454
PET-UNK-1320d94d-16
0.454
MIC-UNK-5a93dd5f-7
0.452
MIC-UNK-c66144cb-1
0.450
MAT-POS-1f3f1a6f-4
0.449
MAK-UNK-ffc90da7-4
0.445
MAK-UNK-c749d764-22
0.445
ALP-POS-f13221e1-2
0.441
MIC-UNK-d36ab305-1
0.440
MIC-UNK-d36ab305-4
0.436
PET-UNK-1320d94d-22
0.436
PET-UNK-1320d94d-21
0.436
ALP-POS-f13221e1-3
0.436
ADA-UCB-6c2cb422-1
0.434
PET-UNK-1320d94d-23
0.429