Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccncc12)[C@H]1CCOc2cc(F)c(Cl)cc21 |
MW: | 357.07 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-04-14 |
MAT-POS-a5ef2d74-1
1.000
MAT-POS-ec6d90b7-3
1.000
EDJ-MED-611d11e7-12
1.000
MAT-POS-ec6d90b7-7
0.750
EDJ-MED-611d11e7-6
0.750
MAT-POS-96f51285-5
0.750
PET-UNK-f4e47ebd-6
0.750
RAL-THA-05e671eb-10
0.729
ALP-POS-fe871b40-9
0.729
MAT-POS-a13804f0-2
0.729
MAT-POS-a13804f0-3
0.729
ALP-POS-d91e0300-1
0.729
ALP-POS-ce760d3f-3
0.706
BEN-DND-4f474d93-2
0.706
MAT-POS-96f51285-3
0.689
EDJ-MED-611d11e7-3
0.689
EDJ-MED-611d11e7-9
0.689
MAT-POS-96f51285-4
0.689
PET-UNK-03fd2068-2
0.674
PET-UNK-f4e47ebd-8
0.667
PET-UNK-f4e47ebd-7
0.632
RAL-THA-05e671eb-11
0.604
ALP-UNI-3735e77e-3
0.604
VLA-UNK-56836b69-4
0.589
ROB-UNI-6ee2df8c-1
0.582
ALP-POS-869ac754-1
0.571
RYA-UNI-6d7114fd-1
0.571
RAL-THA-05e671eb-2
0.571
ALP-UNI-8d415491-4
0.548
EDJ-MED-611d11e7-11
0.548
RAL-THA-05e671eb-9
0.547
BEN-DND-d1eb1f41-18
0.543
ALP-POS-ce760d3f-7
0.543
ALP-POS-696356e4-1
0.543
EDG-MED-5d232de5-1
0.543
EDG-MED-5d232de5-2
0.543
PET-UNK-f4e47ebd-13
0.535
EDJ-MED-ba7e64f2-1
0.526
BEN-DND-c852c98b-4
0.526
BEN-DND-d1eb1f41-11
0.520
BEN-DND-4f474d93-1
0.516
BEN-DND-4f474d93-3
0.516
ALP-POS-ce760d3f-2
0.516
PET-UNK-2c6614b6-8
0.515
ALF-EVA-5b152d2f-2
0.515
BEN-DND-34fc7f90-2
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RAL-THA-05e671eb-3
0.500
PET-UNK-f4e47ebd-20
0.500
BEN-DND-c852c98b-7
0.500
BEN-DND-d1eb1f41-13
0.500
MAT-POS-f7918075-1
0.500
VLA-UCB-1dbca3b4-15
0.500
MAT-POS-b3e365b9-1
0.500
MAT-POS-b3e365b9-2
0.500
MAK-UNK-8be7dca9-7
0.495
BEN-DND-34fc7f90-6
0.495
MAT-POS-8293a91a-3
0.490
PET-UNK-03fd2068-1
0.485
BEN-DND-02317c5c-4
0.485
ADA-UCB-dc2b944c-8
0.485
RAL-THA-05e671eb-13
0.485
RAL-THA-05e671eb-4
0.485
ADA-UCB-dc2b944c-7
0.485
BEN-DND-34fc7f90-3
0.480
PET-UNK-1e13ef09-6
0.480
PET-UNK-b78139fa-8
0.480
BEN-DND-c852c98b-6
0.476
BEN-DND-c852c98b-3
0.475
BEN-DND-c852c98b-5
0.475
ALP-POS-82da25a3-2
0.475
MAT-POS-f9802937-7
0.475
ERI-UCB-8d4e5055-4
0.475
PET-UNK-ee8352fa-4
0.475
BEN-DND-c852c98b-2
0.471
BEN-DND-c852c98b-1
0.471
MAK-UNK-8be7dca9-9
0.470
ALF-EVA-5b152d2f-7
0.466
MAK-UNK-8be7dca9-8
0.466
PET-UNK-ee8352fa-5
0.466
RAL-THA-b9d6aec1-3
0.466
BEN-DND-d1eb1f41-17
0.466
WIL-UCB-7ba4ac3a-1
0.465
MAT-POS-419aafdb-2
0.462
ALF-EVA-5b152d2f-8
0.462
PET-UNK-f4e47ebd-4
0.462
ALP-POS-82da25a3-1
0.461
JUL-TUD-06b2044f-66
0.457
RAL-THA-b9d6aec1-1
0.457
PET-UNK-b38839dc-4
0.457
RAL-THA-b9d6aec1-2
0.457
RUB-POS-1325a9ea-10
0.456
MAK-UNK-8be7dca9-5
0.456
ALP-UNI-ba800595-2
0.455
ALP-POS-fe871b40-10
0.455
DAR-DIA-6a508060-8
0.455
MIC-UNK-7574fcc6-2
0.455
PET-UNK-f4e47ebd-9
0.452
RAL-THA-05e671eb-8
0.451
RAL-THA-05e671eb-6
0.451
RAL-THA-05e671eb-14
0.451