Molecular Properties | |
SMILES: | O=C(Nc1cnc2ccccn12)C1CCNc2cc(Cl)c(Cl)cc21 |
MW: | 360.05 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 58.43 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.9797214324808 |
Order Status | |
Shipped: | 2021-06-15 |
BEN-DND-02317c5c-5
1.000
BEN-DND-02317c5c-7
0.787
BEN-DND-02317c5c-6
0.699
BEN-DND-02317c5c-2
0.573
BEN-DND-a02b439d-9
0.551
BEN-DND-a02b439d-7
0.533
BEN-DND-02317c5c-4
0.521
BEN-DND-a02b439d-8
0.516
MAT-POS-51833a24-1
0.505
BEN-DND-02317c5c-3
0.505
EDJ-MED-827e7cb4-7
0.489
MAT-POS-f9802937-8
0.489
ALP-UNI-3735e77e-4
0.489
MAT-POS-78e1d523-6
0.489
MAT-POS-78e1d523-5
0.489
MAT-POS-f9802937-9
0.489
ALP-UNI-8d415491-1
0.484
EDJ-MED-ee742daa-2
0.484
ALP-UNI-8d415491-4
0.474
EDJ-MED-611d11e7-11
0.474
DAR-DIA-06c53477-1
0.469
DAR-DIA-06c53477-3
0.469
DAR-DIA-06c53477-2
0.469
ALF-EVA-82cf4849-9
0.468
ALP-UNI-8d415491-3
0.468
ALF-EVA-b701bd13-1
0.460
ALP-UNI-8d415491-6
0.459
MAT-POS-ec6d90b7-5
0.459
EDJ-MED-611d11e7-5
0.459
DAV-ILL-edda7d6f-1
0.458
BEN-DND-f06bfa8e-6
0.454
ALF-EVA-b701bd13-2
0.446
BEN-DND-f06bfa8e-1
0.440
ALP-UNI-8d415491-2
0.439
ALF-EVA-82cf4849-6
0.436
ALF-EVA-82cf4849-7
0.431
DAV-ILL-89eb723b-1
0.429
EDJ-MED-611d11e7-2
0.427
MAT-POS-ec6d90b7-6
0.427
ALP-UNI-8d415491-5
0.427
EDJ-MED-611d11e7-8
0.427
MAT-POS-96f51285-6
0.427
ALF-EVA-82cf4849-10
0.427
BEN-DND-02317c5c-1
0.427
DAV-ILL-03f0d021-1
0.424
JUL-TUD-ba2aea69-1
0.414
JUL-TUD-06b2044f-1
0.414
ALF-EVA-b701bd13-5
0.406
PET-UNK-8df914d1-2
0.396
ALF-EVA-82cf4849-2
0.381
ALF-EVA-82cf4849-1
0.379
ALP-POS-fe871b40-10
0.375
ALP-UNI-ba800595-2
0.375
ALF-EVA-b701bd13-4
0.356
CAR-UNK-140e3209-1
0.337
MAT-POS-51833a24-5
0.336
MAT-POS-51833a24-2
0.333
MAT-POS-51833a24-4
0.330
MAT-POS-51833a24-6
0.324
BEN-DND-a02b439d-5
0.324
ALP-POS-477dc5b7-2
0.318
MIC-UNK-91acba05-5
0.318
EDJ-MED-92e193ae-2
0.318
EDJ-MED-92e193ae-1
0.318
JUL-TUD-06b2044f-3
0.314
EDG-MED-fe7487f8-4
0.314
ALF-EVA-b701bd13-6
0.312
DAR-DIA-06c53477-5
0.312
DAR-DIA-06c53477-6
0.312
PET-UNK-e274cad4-9
0.312
DAR-DIA-06c53477-4
0.312
BEN-DND-a02b439d-6
0.311
EDJ-MED-827e7cb4-8
0.310
PET-UNK-e274cad4-4
0.309
VLA-UNK-8e76d113-2
0.306
PET-UNK-b1ef24dc-10
0.303
BEN-DND-a02b439d-4
0.296
MIC-UNK-8758c41d-3
0.294
PET-UNK-b1ef24dc-11
0.294
PET-UNK-b1ef24dc-9
0.294
VLA-UNK-56836b69-1
0.294
ALP-POS-fe871b40-16
0.294
PET-UNK-b1ef24dc-12
0.291
PET-UNK-7f7e354d-2
0.288
BEN-DND-d1eb1f41-2
0.284
BEN-DND-d1eb1f41-1
0.283
BEN-DND-d1eb1f41-5
0.283
MAR-TRE-92684b97-61
0.283
ALF-EVA-b701bd13-3
0.282
MAT-POS-51833a24-3
0.279
ALP-POS-fe871b40-6
0.279
ROB-UNI-611831f5-2
0.279
BEN-DND-d1eb1f41-3
0.277
MAT-POS-86c60949-2
0.276
BEN-DND-d1eb1f41-10
0.276
VLA-UNK-8e76d113-1
0.276
ALF-EVA-82cf4849-5
0.274
ALP-UNI-ba800595-1
0.273
MIC-UNK-5b1ead09-5
0.270
RAL-THA-9041a04d-1
0.270