Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1 |
MW: | 284.743 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 64.01 |
cLogP: | 0.9808 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-910 |
Activity Data | |
IC50 (µM) - Fluorescence: | 37.4070562914493 |
IC50 (µM) - RapidFire: | 9.28315023397583 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-13 |
para_hydroquinone
hydroquinone
o-Substituted phenols (2)
dihydroxybenzene
mannich_A(296)
NEH-REV-107bcf72-4
0.562
AVI-UNI-70b60925-2
0.549
NEH-REV-107bcf72-3
0.538
SAD-SAT-bc31ec01-1
0.508
MAK-UNK-7c9d1431-20
0.492
MED-COV-4280ac29-37
0.478
SAD-SAT-65574d3f-10
0.477
MAK-UNK-7c9d1431-24
0.474
DRR-IMP-38dce17f-3
0.474
MAT-POS-2db6411e-2
0.468
SAD-SAT-581007d4-7
0.468
AAR-POS-0daf6b7e-13
0.467
MAK-UNK-212f693e-8
0.467
LON-WEI-8f408cad-7
0.467
AVI-UNI-c9bf710f-2
0.466
MAK-UNK-7c9d1431-29
0.466
DRR-IMP-38dce17f-6
0.458
PAU-UNI-8cdd41c7-1
0.458
MIH-UNI-e573136b-5
0.456
AAR-POS-d2a4d1df-35
0.452
MED-COV-4280ac29-15
0.452
HYO-UNK-49a60884-1
0.452
JOH-UNI-0e1753c1-3
0.452
MAK-UNK-df1a028e-1
0.449
MED-COV-4280ac29-31
0.448
AAR-POS-d2a4d1df-40
0.448
AAR-POS-d2a4d1df-24
0.444
HYO-UNK-50298ba0-1
0.443
DRR-IMP-38dce17f-8
0.443
DAR-DIA-fb20be43-2
0.443
DRR-IMP-38dce17f-1
0.443
SEL-UNI-cd366922-6
0.441
DRR-IMP-38dce17f-2
0.438
PAU-UNI-19862c28-1
0.437
DAR-DIA-fb20be43-8
0.437
MAK-UNK-7c9d1431-28
0.435
DRR-IMP-38dce17f-5
0.435
LON-WEI-8f408cad-5
0.435
DRR-IMP-38dce17f-7
0.435
MAK-UNK-6ca90168-14
0.435
AAR-POS-0daf6b7e-17
0.435
AAR-POS-0daf6b7e-2
0.435
TAM-UNI-d1c3dd9f-4
0.434
SAD-SAT-5b1897b2-5
0.433
MAK-UNK-7c9d1431-14
0.433
MIH-UNI-e573136b-4
0.432
JOH-UNI-27ac80fd-23
0.429
MAR-LAB-ca4662a6-2
0.429
DRR-IMP-38dce17f-4
0.429
AAR-POS-0daf6b7e-12
0.429
TAM-UNI-d1c3dd9f-17
0.425
TAM-UNI-d1c3dd9f-18
0.425
SAD-SAT-581007d4-1
0.422
SAD-SAT-581007d4-2
0.422
JIA-UNI-93b03cae-1
0.422
DAR-DIA-fb20be43-9
0.421
DAR-DIA-fb20be43-12
0.421
JOO-PER-58e158bd-1
0.419
DAR-DIA-fb20be43-3
0.419
DAR-DIA-fb20be43-7
0.419
JOK-SYG-18591e8f-1
0.418
STU-CHA-6cae54d3-1
0.418
NEH-REV-107bcf72-1
0.416
ASH-SAT-43770c7d-5
0.415
DAR-DIA-fb20be43-6
0.413
DAV-CRI-d1e0885a-1
0.412
MAR-TRE-6a44bbf2-54
0.412
MAT-POS-ee51dedd-1
0.412
MAK-UNK-7c9d1431-16
0.412
DAR-DIA-fb20be43-4
0.411
BRU-LEF-ae0885ba-1
0.411
PAU-UNI-52c0427f-1
0.411
STE-UNK-13e151dd-1
0.411
JOH-UNI-27ac80fd-38
0.408
SAD-SAT-581007d4-3
0.406
MED-COV-4280ac29-33
0.406
SAD-SAT-581007d4-4
0.406
TAT-ENA-80bfd3e5-20
0.406
AAR-POS-d2a4d1df-41
0.406
MED-COV-4280ac29-35
0.405
DAR-DIA-fb20be43-1
0.405
STU-CHA-0f79177c-1
0.405
AHN-SAT-de2502ba-15
0.403
DAR-DIA-fb20be43-5
0.400
DAV-CRI-d1e0885a-3
0.400
DAR-DIA-fb20be43-16
0.398
TAM-UNI-d1c3dd9f-1
0.398
STU-CHA-464c0256-1
0.397
SAD-SAT-5b1897b2-2
0.394
SEL-UNI-cd366922-7
0.392
STU-CHA-6d5cfe2b-1
0.390
DAV-CRI-d1e0885a-2
0.390
TAM-UNI-d1c3dd9f-13
0.390
MAK-UNK-7c9d1431-18
0.389
JOK-SYG-302da050-2
0.388
JOH-UNI-27ac80fd-39
0.387
MAK-UNK-704ed37c-11
0.385
TAM-UNI-d1c3dd9f-12
0.385
TAM-UNI-d1c3dd9f-14
0.385
MAK-UNK-e4a48a85-26
0.385