Molecular Properties | |
SMILES: | CC(NC(=O)C1CCC1)C(=O)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 464.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 100.19 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.80589118082366 |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | 2021-02-24 |
Long aliphatic chain
Dipeptide
EDJ-MED-cf4b0d25-4
0.702
EDJ-MED-cf4b0d25-3
0.660
EDJ-MED-ee07cf00-13
0.621
MAT-POS-a13804f0-1
0.621
PET-UNK-1320d94d-2
0.620
PET-UNK-1320d94d-1
0.620
PET-UNK-1320d94d-10
0.615
PET-UNK-1320d94d-9
0.615
PET-UNK-1320d94d-7
0.614
PET-UNK-1320d94d-8
0.614
EDJ-MED-ee07cf00-11
0.606
MAT-POS-7174c657-5
0.606
MAT-POS-7174c657-6
0.606
PET-UNK-ac320b15-5
0.606
PET-UNK-ac320b15-6
0.606
PET-UNK-ac320b15-8
0.606
PET-UNK-ac320b15-9
0.606
PET-UNK-ac320b15-10
0.606
MAT-POS-a13804f0-4
0.606
PET-UNK-ac320b15-7
0.606
MAT-POS-8293a91a-2
0.606
MAT-POS-8293a91a-6
0.606
MAT-POS-8293a91a-7
0.606
PET-UNK-1320d94d-5
0.602
PET-UNK-1320d94d-6
0.602
EDJ-MED-cf4b0d25-1
0.592
EDJ-MED-cf4b0d25-5
0.584
EDJ-MED-ee07cf00-7
0.575
EDJ-MED-ee07cf00-18
0.566
EDJ-MED-ee07cf00-10
0.562
PET-UNK-1320d94d-3
0.560
PET-UNK-1320d94d-4
0.560
EDJ-MED-ee07cf00-12
0.558
EDJ-MED-ee07cf00-16
0.557
EDJ-MED-ee07cf00-1
0.557
EDJ-MED-ee07cf00-6
0.555
EDJ-MED-ee07cf00-9
0.546
EDJ-MED-ee07cf00-5
0.542
MAT-POS-d8472c4f-2
0.542
MIC-UNK-5a93dd5f-1
0.541
EDJ-MED-ee07cf00-14
0.541
VLA-UNK-9a7dc93f-7
0.538
EDJ-MED-ee07cf00-15
0.537
EDJ-MED-cf4b0d25-2
0.532
EDJ-MED-ee07cf00-17
0.527
EDJ-MED-ee07cf00-8
0.527
EDJ-MED-ee07cf00-2
0.526
JOH-UNI-ee5ed7c8-6
0.526
JOH-UNI-3fc3434e-6
0.526
MIC-UNK-5a93dd5f-2
0.525
MIC-UNK-d36ab305-1
0.520
MIC-UNK-5a93dd5f-8
0.520
MIC-UNK-5a93dd5f-4
0.520
MIC-UNK-5a93dd5f-9
0.520
NAU-LAT-a5c7d7cb-2
0.515
MIC-UNK-6ab519a7-1
0.515
NIR-THE-590dedc7-1
0.515
MIC-UNK-5a93dd5f-10
0.515
MIC-UNK-d36ab305-4
0.515
MAK-UNK-ffc90da7-1
0.515
MAK-UNK-c749d764-6
0.515
EDJ-MED-ee07cf00-3
0.513
MAT-POS-1f3f1a6f-3
0.511
MAK-UNK-ffc90da7-7
0.510
MIC-UNK-5a93dd5f-11
0.510
MIC-UNK-c66144cb-3
0.505
MIC-UNK-5a93dd5f-6
0.505
ALP-POS-3b848b35-4
0.505
MAK-UNK-c749d764-22
0.505
MAK-UNK-ffc90da7-4
0.505
ALP-UNI-dbbfd3db-15
0.500
MIC-UNK-5a93dd5f-7
0.500
PET-UNK-1320d94d-22
0.495
PET-UNK-1320d94d-21
0.495
MIC-UNK-5a93dd5f-12
0.491
MIC-UNK-5a93dd5f-5
0.491
MIC-UNK-c66144cb-2
0.490
MIC-UNK-5a93dd5f-3
0.486
MIC-UNK-c66144cb-1
0.485
PET-UNK-1320d94d-29
0.483
PET-UNK-1320d94d-30
0.483
DAR-DIA-0cde14eb-57
0.480
MAT-POS-fce787c2-5
0.479
ALP-POS-a9ad2217-2
0.478
PET-UNK-10339a1d-1
0.478
PET-UNK-1320d94d-27
0.478
PET-UNK-1320d94d-20
0.478
PET-UNK-1320d94d-19
0.478
PET-UNK-1320d94d-28
0.478
PET-UNK-1320d94d-26
0.474
PET-UNK-1320d94d-25
0.474
PET-UNK-1320d94d-11
0.473
PET-UNK-1320d94d-12
0.473
PET-UNK-1320d94d-17
0.473
PET-UNK-1320d94d-18
0.473
MAT-POS-1f3f1a6f-4
0.470
ALP-POS-a9ad2217-1
0.465
MAT-POS-fce787c2-3
0.462
PET-UNK-1320d94d-16
0.460
PET-UNK-1320d94d-15
0.460