Molecular Properties | |
SMILES: | Cc1nccn1Cc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 432.14 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.04 |
cLogP: | 4.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.31536087313259 |
Order Status | |
Shipped: | 2021-06-29 |
MAT-POS-7ddaf7de-1
1.000
ALP-POS-82da25a3-1
0.719
ALF-EVA-5b152d2f-8
0.697
MAK-UNK-8be7dca9-1
0.695
ERI-UCB-8d4e5055-1
0.695
MAK-UNK-8be7dca9-5
0.694
ERI-UCB-8d4e5055-6
0.692
MAT-POS-7ddaf7de-3
0.692
JAG-UCB-571deb56-5
0.683
MAK-UNK-8be7dca9-2
0.680
JAG-UCB-571deb56-2
0.676
JAG-UCB-571deb56-4
0.663
JAG-UCB-571deb56-6
0.660
JAG-UCB-571deb56-1
0.651
ERI-UCB-8d4e5055-3
0.644
MAT-POS-7ddaf7de-2
0.644
MAT-POS-1ecf5680-1
0.619
TET-ENA-382364b7-1
0.615
PET-UNK-03fd2068-1
0.614
MAK-UNK-8be7dca9-9
0.614
JAG-UCB-571deb56-7
0.607
BEN-DND-4f474d93-1
0.600
BEN-DND-4f474d93-3
0.600
ALP-POS-ce760d3f-2
0.600
PET-UNK-6314f867-1
0.596
ALF-EVA-5b152d2f-5
0.590
MAT-POS-1ecf5680-2
0.589
ALP-POS-82da25a3-2
0.587
MAT-POS-b3e365b9-1
0.584
MAT-POS-b3e365b9-2
0.584
MAT-POS-f7918075-1
0.584
VLA-UCB-1dbca3b4-15
0.584
MAK-UNK-8be7dca9-8
0.575
PET-UNK-f4e47ebd-4
0.570
ALF-EVA-5b152d2f-2
0.567
RUB-POS-1325a9ea-10
0.566
PET-UNK-b38839dc-4
0.565
ALP-POS-ce760d3f-3
0.563
BEN-DND-c852c98b-4
0.563
EDJ-MED-ba7e64f2-1
0.563
BEN-DND-4f474d93-2
0.563
MAT-POS-14f31916-1
0.562
WIL-UCB-7ba4ac3a-1
0.562
MAT-POS-d8472c4f-6
0.562
PET-UNK-ee8352fa-6
0.561
PET-UNK-ee8352fa-5
0.561
BEN-DND-c852c98b-5
0.557
ERI-UCB-8d4e5055-4
0.557
PET-UNK-b38839dc-5
0.556
ALP-POS-696356e4-1
0.548
ALP-POS-ce760d3f-7
0.548
EDG-MED-5d232de5-1
0.548
EDG-MED-5d232de5-2
0.548
ERI-UCB-8d4e5055-2
0.548
MAT-POS-8695a11f-2
0.548
ERI-UCB-8d4e5055-5
0.547
MAT-POS-86c60949-3
0.547
PET-UNK-e274cad4-7
0.543
BEN-DND-c852c98b-3
0.542
MAT-POS-f9802937-7
0.542
PET-UNK-ee8352fa-4
0.542
PET-UNK-f4e47ebd-3
0.541
ERI-UCB-b3e6b0c2-14
0.540
PET-UNK-b1ef24dc-7
0.538
BEN-DND-c852c98b-7
0.537
ALF-EVA-ced740bd-1
0.537
RAL-THA-b9d6aec1-1
0.536
RAL-THA-b9d6aec1-2
0.536
MAT-POS-419aafdb-1
0.536
MAT-POS-b3e365b9-4
0.535
BRU-CON-c4e3408a-1
0.535
JAN-GHE-f4ca5a00-13
0.535
DAR-DIA-6a508060-6
0.535
MAT-POS-b3e365b9-3
0.535
MAK-UNK-8be7dca9-7
0.533
BEN-DND-a7517465-1
0.533
RAL-THA-b9d6aec1-3
0.532
ALF-EVA-5b152d2f-7
0.532
MAT-POS-afb6844f-1
0.529
MAT-POS-14f31916-5
0.528
ERI-UCB-b3e6b0c2-10
0.528
MAT-POS-8293a91a-3
0.528
BEN-DND-c852c98b-6
0.527
PET-UNK-b1ef24dc-8
0.524
MAT-POS-afb6844f-3
0.524
MIC-UNK-7574fcc6-2
0.524
BEN-DND-c852c98b-1
0.523
BEN-DND-c852c98b-2
0.523
PET-UNK-b38839dc-3
0.519
MAT-POS-7ddaf7de-4
0.515
BEN-DND-a7517465-2
0.514
BEN-DND-a7517465-3
0.514
PET-UNK-7f7e354d-1
0.514
MIC-UNK-b904ca85-2
0.514
BEN-DND-a7517465-5
0.514
MAT-POS-acfe5bae-5
0.514
MAT-POS-14f31916-2
0.514
MAT-POS-8040981b-1
0.514
MAT-POS-14f31916-4
0.514
MAT-POS-ee5e8e94-1
0.514