Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1 |
MW: | 287.19 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.223 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z147647726 |
Enamine REAL: | Z1562119726 |
Enamine Extended REAL: | m_270062____7595862____8147258 |
Mcule: | MCULE-8101360851 |
MolPort: | MolPort-005-310-799 |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.63950484964828 |
IC50 (µM) - RapidFire: | 0.545448360764436 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2021-04-16 |
AAR-POS-d2a4d1df-1
HYO-UNK-49a60884-1
1.000
JOH-UNI-0e1753c1-3
1.000
AAR-POS-d2a4d1df-35
1.000
JOH-UNI-0e1753c1-2
0.692
AAR-POS-d2a4d1df-24
0.679
MAK-UNK-6ca90168-13
0.667
JOH-UNI-23d9e1b1-1
0.667
DRR-IMP-38dce17f-2
0.667
MAT-POS-ee51dedd-1
0.649
JOK-SYG-18591e8f-1
0.632
JOH-UNI-0e1753c1-1
0.621
PAU-UNI-8cdd41c7-1
0.615
MAK-UNK-7c9d1431-24
0.608
DRR-IMP-38dce17f-3
0.608
MAK-UNK-7c9d1431-29
0.596
MAT-POS-2db6411e-2
0.561
SAD-SAT-581007d4-1
0.561
SAD-SAT-581007d4-2
0.561
SAD-SAT-581007d4-7
0.561
MED-COV-4280ac29-13
0.548
JOH-IMS-1436231f-6
0.547
AAR-POS-0daf6b7e-29
0.547
MAK-UNK-cd94b63c-1
0.544
MAK-UNK-176ca439-3
0.544
DRR-IMP-38dce17f-4
0.544
SEA-TRI-146a67b6-1
0.543
DRR-IMP-38dce17f-1
0.536
MAK-UNK-849bee6c-7
0.529
DRR-IMP-38dce17f-6
0.527
MAK-UNK-6ca90168-15
0.526
MAK-UNK-849bee6c-9
0.522
MAR-TRE-6a44bbf2-54
0.516
MAK-UNK-7c9d1431-14
0.516
MAK-UNK-7c9d1431-16
0.516
SAD-SAT-5b1897b2-5
0.516
DAN-LON-a5fc619e-1
0.516
DAN-LON-a5fc619e-2
0.516
DAN-LON-a5fc619e-4
0.515
TAM-UNI-d1c3dd9f-12
0.514
LON-WEI-8f408cad-7
0.509
SAD-SAT-65574d3f-9
0.509
AAR-POS-0daf6b7e-13
0.509
MAK-UNK-212f693e-8
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MED-COV-4280ac29-6
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SAD-SAT-581007d4-3
0.508
MED-COV-4280ac29-33
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DAN-LON-a5fc619e-5
0.507
MAK-UNK-849bee6c-16
0.507
MAK-UNK-6ca90168-14
0.500
SEA-TRI-9e600f3c-1
0.500
MAK-UNK-849bee6c-14
0.500
DAN-LON-a5fc619e-10
0.500
MAK-UNK-176ca439-2
0.500
HYO-UNK-50298ba0-1
0.500
DRR-IMP-38dce17f-7
0.500
MAK-UNK-e4a48a85-7
0.493
SAD-SAT-c989feaa-5
0.493
PAU-UNI-19862c28-1
0.493
DAR-DIA-fb20be43-8
0.493
AVI-UNI-70b60925-1
0.487
MAK-UNK-849bee6c-4
0.486
MAK-UNK-849bee6c-12
0.486
MAK-UNK-7c9d1431-18
0.485
AHN-SAT-de2502ba-15
0.484
JIA-UNI-93b03cae-1
0.483
MAK-UNK-849bee6c-5
0.480
MAK-UNK-849bee6c-6
0.480
DAN-LON-a5fc619e-6
0.479
SAD-SAT-c989feaa-3
0.478
AAR-POS-0daf6b7e-17
0.475
AAR-POS-0daf6b7e-2
0.475
DRR-IMP-38dce17f-5
0.475
LON-WEI-8f408cad-5
0.475
MAK-UNK-7c9d1431-28
0.475
MAK-UNK-849bee6c-3
0.474
MAK-UNK-849bee6c-17
0.474
MAK-UNK-3c359d2a-1
0.474
MAK-UNK-176ca439-4
0.474
ERI-UCB-a0b0dbcb-12
0.474
MED-COV-4280ac29-2
0.472
MAK-UNK-10dfa458-45
0.468
JOH-UNI-0e1753c1-5
0.465
DAN-LON-a5fc619e-3
0.465
SEL-UNI-cd366922-7
0.464
MAK-UNK-849bee6c-8
0.462
SAD-SAT-7d5528d9-21
0.462
DRR-IMP-dff87f5e-8
0.460
MAK-UNK-7c9d1431-20
0.459
TAM-UNI-d1c3dd9f-6
0.458
DAN-LON-a5fc619e-9
0.458
STE-KUL-2e0d2e88-7
0.456
MAK-UNK-849bee6c-13
0.456
DAR-DIA-3e9bbd81-12
0.455
GIA-UNK-7337c2f3-2
0.455
MAK-UNK-af83ef51-1
0.455
MED-COV-4280ac29-12
0.453
MED-COV-4280ac29-29
0.453
DAN-LON-a5fc619e-7
0.452
NEH-REV-107bcf72-5
0.452
JOO-PER-58e158bd-1
0.451