Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(Cl)ccc12)C12CC(C1)Oc1ccc(Cl)cc12 |
MW: | 384.04 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-12 |
EDJ-MED-c3ea9889-6
0.802
EDJ-MED-c3ea9889-5
0.774
MAT-POS-e119ab4f-4
0.753
EDJ-MED-c3ea9889-8
0.618
PET-UNK-6e612674-14
0.446
PET-UNK-6e612674-6
0.446
PET-UNK-6e612674-2
0.440
PET-UNK-6e612674-10
0.440
MIC-UNK-89b52b17-3
0.427
EDG-MED-10fcb19e-2
0.426
EDJ-MED-c3ea9889-2
0.425
ALP-POS-93b3621f-4
0.421
PET-UNK-5d7c542f-1
0.419
ALP-POS-6f6ae286-3
0.419
PET-UNK-407a74a5-10
0.419
PET-UNK-407a74a5-15
0.417
LUO-POS-c9faae85-1
0.413
PET-UNK-5d7c542f-2
0.411
EDG-MED-10fcb19e-4
0.411
EDJ-MED-1b46f08e-1
0.409
ADA-UCB-dc2b944c-4
0.408
EDG-MED-971238d3-11
0.402
EDJ-MED-6bf93aa8-1
0.400
MIC-UNK-7f86385f-1
0.396
EDG-MED-ee636701-3
0.396
MAT-POS-9db1e783-1
0.396
EDG-MED-971238d3-1
0.396
PET-UNK-bcc8fd08-3
0.394
DAR-DIA-0d514e7d-28
0.394
DAR-DIA-0d514e7d-29
0.394
PET-UNK-407a74a5-17
0.390
PET-UNK-407a74a5-18
0.390
BEN-DND-f06bfa8e-5
0.390
EDJ-MED-b7309adf-2
0.390
MIC-UNK-7f86385f-2
0.389
PET-UNK-b566c0b0-1
0.389
MIC-UNK-7f86385f-5
0.388
MIC-UNK-89b52b17-1
0.387
EDG-MED-90036822-86
0.385
JAG-UCB-706446eb-7
0.383
DAR-DIA-6a508060-10
0.382
EDJ-MED-e4b030d8-13
0.382
MAT-POS-2905de8c-3
0.382
EDJ-MED-e4b030d8-1
0.382
MAT-POS-8e4737f4-1
0.382
BEN-DND-a7517465-4
0.382
VLA-UCB-1dbca3b4-14
0.382
DAR-DIA-0d514e7d-30
0.382
EDG-MED-0e5afe9d-3
0.381
MAT-POS-9db1e783-2
0.381
PET-UNK-29afea89-2
0.381
EDJ-MED-d08626de-2
0.381
EDG-MED-971238d3-2
0.381
EDJ-MED-d08626de-1
0.381
EDJ-MED-f9b78f78-5
0.380
MIC-UNK-7f86385f-3
0.379
MIC-UNK-7f86385f-4
0.379
MAR-UCB-6ab2ec87-3
0.379
ERI-UCB-b3e6b0c2-10
0.379
PET-UNK-29afea89-1
0.377
MAK-UNK-8be7dca9-5
0.377
PET-UNK-407a74a5-16
0.377
MIC-UNK-6e9f8a43-2
0.377
PET-UNK-b78139fa-14
0.377
PET-UNK-824b5c6a-3
0.376
PET-UNK-407a74a5-12
0.376
MIC-UNK-89b52b17-2
0.376
PET-UNK-407a74a5-5
0.375
MAT-POS-2905de8c-1
0.375
ALF-EVA-82cf4849-3
0.375
MAT-POS-2e8b2191-4
0.375
MAT-POS-3b97339c-2
0.375
EDG-MED-971238d3-4
0.375
MAT-POS-2905de8c-2
0.375
PET-UNK-ee8352fa-2
0.373
EDG-MED-971238d3-8
0.373
MAT-POS-f9802937-6
0.373
MAT-POS-f9802937-5
0.373
MAT-POS-5d65ec79-2
0.373
EDJ-MED-28ec730d-3
0.372
EDG-MED-90036822-61
0.372
EDJ-MED-41558c53-9
0.371
PET-UNK-b78139fa-15
0.371
NAU-LAT-2fed8305-7
0.371
RAL-THA-58fba2bc-3
0.370
TET-ENA-382364b7-1
0.370
MAT-POS-45b13633-4
0.370
EDG-MED-971238d3-3
0.370
RAL-THA-58fba2bc-1
0.370
MAK-UNK-8be7dca9-2
0.370
EDG-MED-971238d3-9
0.370
JAG-UCB-706446eb-3
0.370
EDG-MED-971238d3-6
0.370
EDG-MED-971238d3-10
0.370
EDG-MED-90036822-13
0.370
EDJ-MED-41558c53-3
0.369
MAT-POS-c7771779-1
0.369
BEN-DND-f06bfa8e-6
0.369
LUO-POS-433ce175-1
0.369
PET-UNK-c671f938-6
0.368