Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cccc(Cl)c23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 435.02 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 88.16 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.86905321443627 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Activated haloaromatics
ALP-POS-1cbc2fae-1
0.656
MAT-POS-806462de-1
0.656
MAT-POS-806462de-2
0.656
MAT-POS-c88128cb-12
0.617
MAT-POS-c88128cb-13
0.611
MAT-POS-c88128cb-14
0.598
MAT-POS-c88128cb-11
0.592
EDJ-MED-c3ea9889-4
0.590
MAT-POS-666635d5-1
0.590
ALP-POS-5fe48310-1
0.589
MIK-ENA-5d9157e9-5
0.589
MIK-ENA-5d9157e9-6
0.589
MAT-POS-853c0ffa-3
0.491
MAT-POS-a334828f-1
0.491
EDJ-MED-f9b78f78-3
0.490
EDJ-MED-c3ea9889-8
0.475
ALP-POS-1cbc2fae-2
0.452
PET-UNK-1abb40f2-1
0.452
PET-UNK-1abb40f2-3
0.452
EDJ-MED-94fddcec-3
0.451
PET-UNK-6e612674-2
0.447
PET-UNK-6e612674-10
0.447
MIC-UNK-50cce87d-2
0.435
EDJ-MED-6ab52e52-1
0.435
MAT-POS-83f73d0a-3
0.433
PET-UNK-6e612674-1
0.422
PET-UNK-6e612674-9
0.422
PET-UNK-6e612674-3
0.414
PET-UNK-6e612674-11
0.414
EDJ-MED-70ab3faf-1
0.410
PET-UNK-6e612674-4
0.407
PET-UNK-6e612674-12
0.407
ALP-POS-1460fd94-3
0.400
MAT-POS-83f73d0a-4
0.400
EDG-MED-b8f93667-3
0.400
EDG-MED-b8f93667-4
0.393
EDJ-MED-ede277f6-11
0.392
MAT-POS-81ae2990-1
0.390
BEN-DND-a7517465-3
0.387
MAT-POS-c88128cb-4
0.386
PET-UNK-5ad1c31a-6
0.383
PET-UNK-5ad1c31a-12
0.383
EDJ-MED-2f867453-1
0.381
MIK-ENA-e76e31f3-1
0.377
MAT-POS-e119ab4f-5
0.377
MIK-ENA-f5fe7855-1
0.377
LUO-POS-868e8996-1
0.377
MIK-ENA-d22671f7-1
0.377
LUO-POS-868e8996-2
0.377
LUO-POS-e3baa4d7-1
0.376
MAT-POS-c88128cb-6
0.376
MAT-POS-c88128cb-3
0.376
EDJ-MED-70ab3faf-2
0.375
EDJ-MED-c3ea9889-1
0.373
MAT-POS-81ae2990-4
0.372
LUO-POS-c9faae85-1
0.371
EDJ-MED-0186a59b-4
0.371
MAT-POS-c88128cb-5
0.371
LUO-POS-66f38ea0-1
0.371
EDJ-MED-70ab3faf-3
0.371
PET-UNK-5ad1c31a-5
0.371
PET-UNK-5ad1c31a-11
0.371
PET-UNK-b78139fa-13
0.370
EDJ-MED-c3ea9889-2
0.368
MAT-POS-22e8b45a-2
0.367
RAL-THA-176e263b-4
0.367
LUO-POS-433ce175-1
0.364
MAT-POS-b4d6b7fc-8
0.364
MAT-POS-81ae2990-7
0.364
EDJ-MED-f9b78f78-6
0.364
LUO-POS-3b937086-1
0.361
MAT-POS-c88128cb-8
0.361
PET-UNK-022eab87-2
0.361
MIK-ENA-5d9157e9-3
0.359
EDJ-MED-0186a59b-8
0.359
MIK-ENA-5d9157e9-4
0.359
MAT-POS-a334828f-2
0.358
EDJ-MED-b2a1399d-2
0.358
MAT-POS-853c0ffa-4
0.358
MAT-POS-c88128cb-9
0.358
JOH-UNI-6e27fddc-1
0.357
PET-UNK-4b4f2bb7-4
0.357
EDJ-MED-ede277f6-5
0.355
MAT-POS-c88128cb-7
0.355
PET-UNK-1abb40f2-2
0.354
PET-UNK-1abb40f2-4
0.354
EDG-MED-b8f93667-1
0.352
PET-UNK-b78139fa-10
0.351
EDJ-MED-3bfd841e-1
0.350
PET-UNK-6e612674-14
0.348
PET-UNK-6e612674-6
0.348
EDJ-MED-ede277f6-9
0.347
MAT-POS-c88128cb-10
0.347
EDG-MED-b8f93667-2
0.347
PET-UNK-407a74a5-1
0.345
MIC-UNK-ea4eb352-1
0.345
EDJ-MED-211392e3-1
0.345
EDJ-MED-b2a1399d-1
0.344
EDJ-MED-c3ea9889-3
0.344
EDG-MED-b8f93667-6
0.344