Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1 |
MW: | 302.805 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.7228 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | m_270062____7596080____8147258 |
Mcule: | MCULE-3431868410 |
MolPort: | MolPort-004-521-189 |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.76179265691728 |
IC50 (µM) - RapidFire: | 0.900345343667903 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2021-04-16 |
AAR-POS-d2a4d1df-1
MED-COV-4280ac29-31
1.000
JOO-IND-6372a4f3-4
0.672
JOO-IND-6372a4f3-6
0.667
DAR-DIA-fb20be43-2
0.656
JOO-IND-6372a4f3-5
0.631
PAU-UNI-19862c28-1
0.621
DAR-DIA-fb20be43-8
0.621
DAR-DIA-fb20be43-9
0.614
DAR-DIA-fb20be43-7
0.594
MIH-UNI-e573136b-4
0.586
DAR-DIA-fb20be43-6
0.586
MAK-UNK-7c9d1431-20
0.524
PAU-UNI-b2b6b158-1
0.522
KRI-MAR-d2e3ef86-6
0.519
MIH-UNI-e573136b-2
0.500
MIH-UNI-e573136b-3
0.488
MED-COV-4280ac29-5
0.487
MIH-UNI-e573136b-5
0.486
MAK-UNK-7c9d1431-24
0.483
DRR-IMP-38dce17f-3
0.483
MAK-UNK-3f402c2b-14
0.479
STE-KUL-2e0d2e88-2
0.473
SEL-UNI-cd366922-6
0.471
MAK-UNK-6ca90168-1
0.471
DRR-IMP-38dce17f-2
0.470
MAK-UNK-e05327b2-8
0.469
SAD-SAT-bc31ec01-1
0.469
TAM-UNI-d1c3dd9f-20
0.463
STE-UNK-13e151dd-1
0.459
AAR-POS-d2a4d1df-24
0.455
DRR-IMP-38dce17f-1
0.453
HYO-UNK-50298ba0-1
0.452
DRR-IMP-db50bf6e-4
0.451
NEH-REV-107bcf72-5
0.448
LON-WEI-8f408cad-5
0.446
AAR-POS-0daf6b7e-17
0.446
DRR-IMP-38dce17f-5
0.446
HYO-UNK-49a60884-1
0.439
JOH-UNI-0e1753c1-3
0.439
AAR-POS-d2a4d1df-35
0.439
MED-COV-4280ac29-15
0.439
AAR-POS-d2a4d1df-41
0.437
TAT-ENA-80bfd3e5-20
0.437
TAM-UNI-d1c3dd9f-18
0.434
DUN-NEW-f8ce3686-24
0.434
SAD-SAT-581007d4-1
0.433
MAK-UNK-e4a48a85-26
0.430
DAR-DIA-fb20be43-12
0.430
MAK-UNK-7c9d1431-29
0.429
JOO-PER-58e158bd-1
0.429
MED-COV-4280ac29-37
0.427
AAR-POS-0daf6b7e-2
0.424
MAK-UNK-7c9d1431-28
0.424
MAT-POS-ee51dedd-1
0.423
DRR-IMP-38dce17f-6
0.422
MIH-UNI-e573136b-1
0.421
MAT-POS-4e253971-2
0.421
MAK-UNK-c74072e5-2
0.419
DRR-IMP-38dce17f-4
0.418
TAM-UNI-d1c3dd9f-13
0.418
BOG-INS-0b2b845a-1
0.416
STU-CHA-0f79177c-1
0.415
AHN-SAT-de2502ba-15
0.414
TAM-UNI-d1c3dd9f-14
0.412
BOG-INS-bdba9cfb-1
0.411
MAK-UNK-af83ef51-1
0.411
DAR-DIA-fb20be43-3
0.410
AAR-POS-0daf6b7e-13
0.409
MAK-UNK-212f693e-8
0.409
LON-WEI-8f408cad-7
0.409
JOK-SYG-18591e8f-1
0.408
DUN-NEW-f8ce3686-2
0.407
TAM-UNI-d1c3dd9f-15
0.407
TAM-UNI-d1c3dd9f-9
0.407
DRR-IMP-38dce17f-7
0.403
MAK-UNK-6ca90168-14
0.403
SAD-SAT-65574d3f-10
0.403
PAU-UNI-8cdd41c7-1
0.400
NEH-REV-107bcf72-3
0.400
MAK-UNK-10dfa458-38
0.398
TAM-UNI-d1c3dd9f-17
0.397
MAR-LAB-ca4662a6-2
0.397
JOH-UNI-27ac80fd-23
0.397
AAR-POS-0daf6b7e-12
0.397
JIA-UNI-93b03cae-1
0.391
STU-CHA-464c0256-1
0.390
SAD-SAT-5b1897b2-2
0.386
MAK-UNK-7c9d1431-14
0.384
MAR-TRE-6a44bbf2-54
0.384
MAK-UNK-7c9d1431-16
0.384
DAV-CRI-d1e0885a-1
0.384
MAK-UNK-90d0606b-7
0.383
MED-COV-4280ac29-25
0.380
MED-COV-4280ac29-35
0.380
DAR-DIA-fb20be43-1
0.380
NAU-LAT-64f4b287-3
0.380
MED-COV-4280ac29-19
0.378
STE-KUL-2e0d2e88-7
0.377
DRR-IMP-38dce17f-8
0.377
TAM-UNI-d1c3dd9f-4
0.373