Molecular Properties | |
SMILES: | CN1CCC(C(=O)NC(C)(C(=O)Nc2cncc3ccccc23)c2ccc(Cl)c(Cl)c2)C1 |
MW: | 470.13 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.86720295089814 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-10 |
Dipeptide
MAT-POS-e9e99895-8
0.710
MAT-POS-e9e99895-3
0.695
MAT-POS-e9e99895-2
0.641
MAT-POS-e9e99895-10
0.637
MAT-POS-fce787c2-9
0.621
MAT-POS-e9e99895-11
0.617
MAT-POS-e9e99895-12
0.611
MAT-POS-e9e99895-6
0.600
MAT-POS-e9e99895-4
0.577
MAT-POS-e9e99895-5
0.575
MAT-POS-e9e99895-9
0.547
MAT-POS-e9e99895-1
0.538
MAT-POS-fce787c2-7
0.538
MAT-POS-e9e99895-7
0.532
MAT-POS-fce787c2-6
0.500
EDG-MED-90036822-83
0.462
NAU-LAT-2fed8305-1
0.448
BEN-DND-34fc7f90-8
0.448
BEN-DND-a02b439d-15
0.448
MAR-UCB-6ab2ec87-6
0.442
MAT-POS-1f3f1a6f-4
0.433
BEN-DND-f2e727cd-6
0.430
MAT-POS-dd3ad2b5-1
0.430
ALP-POS-a577c8a2-2
0.426
JUL-TUD-06b2044f-54
0.425
MAT-POS-fce787c2-3
0.423
EDJ-MED-036ae2e9-1
0.422
EDG-MED-5d232de5-5
0.421
EDG-MED-5d232de5-6
0.421
RAL-THA-8416115c-2
0.421
MIC-UNK-91acba05-6
0.421
MIC-UNK-45817b9b-2
0.417
ALP-POS-d054b76b-1
0.417
MIC-UNK-8758c41d-1
0.415
PET-UNK-9b23ef84-3
0.414
BEN-DND-a02b439d-2
0.414
MIC-UNK-37660950-4
0.414
DAR-DIA-0f2f46c9-6
0.413
DAR-DIA-0f2f46c9-4
0.413
DAR-DIA-0f2f46c9-5
0.413
MAR-UCB-6ab2ec87-7
0.411
DAR-DIA-6a508060-11
0.411
EDJ-MED-2791eece-6
0.409
EDJ-MED-b774e9fe-2
0.409
MAT-POS-fb82b63d-3
0.407
DAR-DIA-0f2f46c9-12
0.407
EDJ-MED-eb111c00-1
0.407
MIC-UNK-91acba05-2
0.407
EDJ-MED-12c4873b-3
0.407
MAT-POS-1f3f1a6f-2
0.406
BEN-DND-a02b439d-14
0.406
PET-UNK-dd44aeb6-2
0.404
RAL-THA-2d450e86-24
0.404
RAL-THA-05e671eb-21
0.404
DAR-DIA-0f2f46c9-10
0.404
LUO-POS-3f66b338-1
0.404
EDJ-MED-12c4873b-4
0.404
EDJ-MED-43f8f7d6-1
0.404
MAT-POS-23a8a11a-1
0.402
FRA-DIA-c7e803f4-1
0.402
FRA-DIA-0fa076fe-1
0.402
LUO-POS-868e8996-14
0.402
MIC-UNK-8758c41d-2
0.402
LUO-POS-868e8996-13
0.402
MIC-UNK-91acba05-3
0.402
MAT-POS-66a736cf-1
0.402
RAL-THA-8416115c-4
0.402
MAT-POS-2e8b2191-1
0.402
BEN-BAS-5c03e89e-1
0.400
BEN-BAS-5c03e89e-2
0.400
EDG-MED-5d232de5-3
0.400
EDG-MED-5d232de5-4
0.400
RAL-THA-c11c1343-1
0.400
ALP-POS-d054b76b-2
0.400
BEN-DND-a02b439d-3
0.400
EDJ-MED-2791eece-2
0.400
EDJ-MED-b774e9fe-1
0.400
ALP-POS-966f8da6-2
0.400
PET-UNK-d61f3ea6-3
0.398
MAT-POS-4223bc15-17
0.398
DAR-DIA-0f2f46c9-8
0.398
DAR-DIA-0f2f46c9-7
0.398
BEN-DND-a02b439d-1
0.398
MAT-POS-fb82b63d-4
0.398
DAR-DIA-0f2f46c9-9
0.398
ALP-POS-fe871b40-16
0.398
MIC-UNK-8758c41d-3
0.398
VLA-UNK-56836b69-1
0.398
MAT-POS-1f3f1a6f-3
0.398
RAL-THA-4aa06b95-5
0.397
RAL-THA-4aa06b95-6
0.396
DAR-DIA-0f2f46c9-2
0.396
PET-UNK-9b23ef84-2
0.396
RAL-THA-8416115c-3
0.396
DAR-DIA-0f2f46c9-3
0.396
DAR-DIA-0f2f46c9-1
0.396
MAT-POS-dd3ad2b5-2
0.396
MAT-POS-de59a476-2
0.396
MAT-POS-fce787c2-5
0.396
DAR-DIA-0f2f46c9-13
0.395