Molecular Properties | |
SMILES: | COC(=O)[C@@H]1C[C@H](NC(=O)C(c2cccnc2)N(C(=O)c2cocn2)c2ccc(C(C)(C)C)cc2)CN1C(=O)OC(C)(C)C |
MW: | 605.28 |
Fraction sp3: | 0.44 |
HBA: | 9 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 144.17 |
cLogP: | 4.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.65703753017596 |
Order Status | |
Shipped: | synthesis in progress |
carbamate, T-boc Protected
carbamate include di-substitued N
Ester
ALP-POS-88a7a97e-24
1.000
ALP-POS-88a7a97e-23
1.000
ALP-POS-88a7a97e-40
1.000
ALP-POS-88a7a97e-15
0.712
ALP-POS-88a7a97e-43
0.708
ALP-POS-88a7a97e-6
0.694
ALP-POS-88a7a97e-12
0.673
ALP-POS-88a7a97e-45
0.667
ALP-POS-88a7a97e-25
0.664
ALP-POS-88a7a97e-34
0.660
ALP-POS-88a7a97e-28
0.654
ALP-POS-88a7a97e-39
0.651
ALP-POS-88a7a97e-9
0.630
ALP-POS-88a7a97e-30
0.624
ALP-POS-88a7a97e-38
0.607
ALP-POS-88a7a97e-31
0.598
ALP-POS-88a7a97e-1
0.598
ALP-POS-88a7a97e-33
0.594
ALP-POS-88a7a97e-14
0.592
ALP-POS-88a7a97e-19
0.591
ALP-POS-88a7a97e-18
0.587
ALP-POS-88a7a97e-13
0.586
ALP-POS-88a7a97e-7
0.581
ALP-POS-88a7a97e-35
0.581
ALP-POS-88a7a97e-3
0.578
ALP-POS-88a7a97e-29
0.578
ALP-POS-88a7a97e-5
0.573
ALP-POS-88a7a97e-36
0.570
ALP-POS-88a7a97e-2
0.565
ALP-POS-88a7a97e-10
0.565
ALP-POS-88a7a97e-22
0.565
ALP-POS-88a7a97e-32
0.564
ALP-POS-88a7a97e-4
0.564
ALP-POS-88a7a97e-26
0.561
ALP-POS-88a7a97e-16
0.560
ALP-POS-88a7a97e-48
0.553
ALP-POS-88a7a97e-46
0.550
ALP-POS-88a7a97e-17
0.549
ALP-POS-88a7a97e-41
0.548
ALP-POS-88a7a97e-21
0.543
ALP-POS-88a7a97e-27
0.543
ALP-POS-88a7a97e-8
0.540
ALP-POS-88a7a97e-11
0.539
ALP-POS-42f3de95-1
0.530
ALP-POS-88a7a97e-42
0.530
ALP-POS-88a7a97e-44
0.529
ALP-POS-02c6a514-50
0.525
ALP-POS-88a7a97e-47
0.525
ALP-POS-42f3de95-2
0.521
ALP-POS-88a7a97e-49
0.504
BRU-THA-40a53a3c-1
0.487
ALP-POS-88a7a97e-20
0.484
ALP-UNI-fe744232-18
0.468
LON-WEI-adc59df6-1
0.466
ALP-POS-42f3de95-3
0.465
LON-WEI-adc59df6-6
0.458
ALP-POS-95f71980-36
0.457
ALP-POS-ced8ea4d-52
0.449
ALP-POS-ced8ea4d-19
0.444
ALP-UNI-fe744232-10
0.444
ALP-POS-ced8ea4d-27
0.444
ALP-POS-95f71980-34
0.440
ALP-POS-ced8ea4d-11
0.438
ALP-UNI-fe744232-5
0.437
ALP-UNI-fe744232-17
0.435
ALP-POS-ced8ea4d-16
0.435
ALP-UNI-fe744232-9
0.434
ALP-UNI-fe744232-6
0.433
ALP-UNI-fe744232-21
0.431
ALP-POS-ced8ea4d-62
0.431
LON-WEI-adc59df6-14
0.430
ALP-UNI-fe744232-4
0.430
ALP-POS-ced8ea4d-67
0.430
ALP-UNI-fe744232-13
0.430
ALP-UNI-fe744232-16
0.429
ALP-UNI-fe744232-24
0.429
ALP-UNI-fe744232-15
0.427
ALP-UNI-fe744232-30
0.427
ALP-UNI-fe744232-14
0.426
ALP-POS-ced8ea4d-39
0.426
ALP-POS-ced8ea4d-17
0.425
ALP-POS-ced8ea4d-9
0.425
LON-WEI-adc59df6-44
0.425
ALP-POS-d0876c20-5
0.424
ALP-POS-ced8ea4d-51
0.423
ALP-POS-ced8ea4d-12
0.423
LON-WEI-adc59df6-35
0.422
ALP-UNI-fe744232-7
0.422
ALP-UNI-fe744232-27
0.422
ALP-POS-ced8ea4d-32
0.420
ALP-UNI-fe744232-28
0.420
ALP-POS-95f71980-27
0.419
ALP-UNI-fe744232-3
0.419
ALP-UNI-fe744232-8
0.419
ALP-UNI-fe744232-20
0.419
ALP-UNI-fe744232-29
0.419
ALP-UNI-fe744232-11
0.418
ALP-UNI-fe744232-22
0.417
ALP-UNI-fe744232-26
0.417
ALP-POS-ced8ea4d-28
0.416