Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)[C@@H]1CCOc2cc(F)c(Cl)cc21 |
MW: | 374.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.77288454765396 |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | 2021-04-14 |
MAT-POS-96f51285-2
MAT-POS-96f51285-5
MAT-POS-96f51285-4
MAT-POS-96f51285-1
MAT-POS-96f51285-3
MAT-POS-96f51285-6
PET-UNK-03fd2068-11
PET-UNK-03fd2068-9
PET-UNK-03fd2068-6
PET-UNK-03fd2068-5
PET-UNK-03fd2068-4
PET-UNK-03fd2068-3
PET-UNK-03fd2068-1
PET-UNK-03fd2068-10
PET-UNK-03fd2068-8
PET-UNK-03fd2068-7
PET-UNK-03fd2068-2
EDJ-MED-611d11e7-6
1.000
MAT-POS-ec6d90b7-7
1.000
ALP-POS-d91e0300-1
0.759
MAT-POS-a13804f0-2
0.759
ALP-POS-fe871b40-9
0.759
MAT-POS-a13804f0-3
0.759
RAL-THA-05e671eb-10
0.759
MAT-POS-96f51285-3
0.756
MAT-POS-96f51285-4
0.756
EDJ-MED-611d11e7-9
0.756
EDJ-MED-611d11e7-3
0.756
MAT-POS-a5ef2d74-1
0.750
PET-UNK-f4e47ebd-5
0.750
EDJ-MED-611d11e7-12
0.750
MAT-POS-ec6d90b7-3
0.750
PET-UNK-03fd2068-2
0.741
ALP-POS-696356e4-1
0.735
EDG-MED-5d232de5-1
0.735
ALP-POS-ce760d3f-7
0.735
EDG-MED-5d232de5-2
0.735
PET-UNK-f4e47ebd-6
0.698
PET-UNK-f4e47ebd-7
0.674
ROB-UNI-6ee2df8c-1
0.663
PET-UNK-f4e47ebd-8
0.656
RAL-THA-05e671eb-11
0.629
ALP-UNI-3735e77e-3
0.629
MAR-UCB-6ab2ec87-5
0.602
RAL-THA-05e671eb-2
0.596
RYA-UNI-6d7114fd-1
0.596
ALP-POS-869ac754-1
0.596
ALF-EVA-5b152d2f-2
0.587
BEN-DND-c852c98b-4
0.582
BEN-DND-d1eb1f41-18
0.582
EDJ-MED-ba7e64f2-1
0.582
MAK-UNK-8be7dca9-7
0.581
RAL-THA-05e671eb-9
0.570
PET-UNK-1b92fa34-4
0.568
ALF-EVA-ced740bd-3
0.568
MAT-POS-8293a91a-3
0.558
ALP-UNI-8d415491-6
0.553
PET-UNK-03fd2068-1
0.553
MAT-POS-ec6d90b7-5
0.553
EDJ-MED-611d11e7-5
0.553
BEN-DND-c852c98b-7
0.552
BEN-DND-c852c98b-2
0.551
VLA-UNK-56836b69-4
0.543
ALP-POS-82da25a3-2
0.542
MAT-POS-f9802937-7
0.542
BEN-DND-c852c98b-5
0.542
BEN-DND-d1eb1f41-11
0.542
ERI-UCB-8d4e5055-4
0.542
BEN-DND-c852c98b-3
0.542
PET-UNK-ee8352fa-4
0.542
BEN-DND-c852c98b-6
0.541
VLA-UCB-1dbca3b4-15
0.538
MAT-POS-b3e365b9-2
0.538
RAL-THA-05e671eb-13
0.538
RAL-THA-05e671eb-4
0.538
RAL-THA-05e671eb-3
0.538
MAT-POS-b3e365b9-1
0.538
MAT-POS-f7918075-1
0.538
ADA-UCB-dc2b944c-7
0.538
PET-UNK-2c6614b6-6
0.537
BEN-DND-c852c98b-1
0.536
BEN-DND-4f474d93-2
0.532
ALP-POS-ce760d3f-3
0.532
RAL-THA-b9d6aec1-3
0.531
MAK-UNK-8be7dca9-8
0.531
ALF-EVA-5b152d2f-7
0.531
MAT-POS-64942dd0-2
0.530
PET-UNK-03fd2068-5
0.530
MAK-UNK-8be7dca9-4
0.524
RAL-THA-b9d6aec1-1
0.520
RAL-THA-b9d6aec1-2
0.520
BEN-DND-d1eb1f41-13
0.520
PET-UNK-ee8352fa-5
0.515
MAT-POS-419aafdb-2
0.510
ALF-EVA-5b152d2f-3
0.505
MIC-UNK-7574fcc6-2
0.505
RUB-POS-1325a9ea-10
0.505
PET-UNK-b38839dc-4
0.505
MAT-POS-419aafdb-1
0.505
PET-UNK-1b92fa34-2
0.500
PET-UNK-b78139fa-7
0.500
WIL-UCB-7ba4ac3a-1
0.500
PET-UNK-03fd2068-7
0.495
PET-UNK-b38839dc-5
0.495
ERI-UCB-8d4e5055-2
0.491
MAT-POS-8695a11f-2
0.491
BEN-DND-02317c5c-4
0.490
MAK-UNK-8be7dca9-9
0.490
BEN-DND-4f474d93-1
0.490
BEN-DND-4f474d93-3
0.490
ALP-POS-ce760d3f-2
0.490
EDJ-MED-670ad2ee-6
0.485
EDJ-MED-841e0cf0-5
0.485
EDJ-MED-670ad2ee-5
0.485
BEN-DND-d1eb1f41-17
0.485
PET-UNK-ee8352fa-6
0.485
RAL-THA-05e671eb-6
0.485