Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCN(Cc2ncn[nH]2)c2ccc(Cl)cc21 |
MW: | 418.13 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 86.8 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.4037515788245 |
IC50 (µM) - RapidFire: | 1.11608753862865 |
Order Status | |
Ordered: | 2020-12-18 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-12
0.778
RAL-THA-8416115c-5
0.768
RAL-THA-8416115c-6
0.747
RAL-THA-8416115c-1
0.742
RAL-THA-8416115c-14
0.740
RAL-THA-8416115c-11
0.713
ALP-UNI-b33a865d-1
0.713
ALP-POS-966f8da6-1
0.713
RAL-THA-8416115c-7
0.701
RAL-THA-4aa06b95-6
0.698
RAL-THA-8416115c-3
0.698
RAL-THA-8416115c-8
0.694
RAL-THA-8416115c-4
0.684
RAL-THA-8416115c-10
0.680
RAL-THA-8416115c-9
0.673
RAL-THA-4aa06b95-7
0.657
RAL-THA-4aa06b95-1
0.620
RAL-THA-4aa06b95-2
0.618
ALP-POS-966f8da6-2
0.604
RAL-THA-c11c1343-1
0.604
EDG-MED-5d232de5-3
0.604
EDG-MED-5d232de5-4
0.604
EDG-MED-5d232de5-6
0.600
MIC-UNK-91acba05-6
0.600
RAL-THA-8416115c-2
0.600
EDG-MED-5d232de5-5
0.600
DAR-DIA-0f2f46c9-12
0.600
EDJ-MED-fa7708b3-2
0.600
RAL-THA-4aa06b95-4
0.596
DAR-DIA-0f2f46c9-10
0.594
RAL-THA-4aa06b95-5
0.589
DAR-DIA-0f2f46c9-4
0.588
DAR-DIA-0f2f46c9-5
0.588
DAR-DIA-0f2f46c9-6
0.588
RAL-THA-4aa06b95-3
0.587
DAR-DIA-0f2f46c9-3
0.583
DAR-DIA-0f2f46c9-1
0.583
DAR-DIA-0f2f46c9-2
0.583
DAR-DIA-0f2f46c9-11
0.577
EDJ-MED-487c5e9f-1
0.577
DAR-DIA-0f2f46c9-13
0.575
DAR-DIA-0f2f46c9-14
0.575
DAR-DIA-0f2f46c9-7
0.566
DAR-DIA-0f2f46c9-8
0.566
DAR-DIA-0f2f46c9-9
0.566
MAR-UCB-6ab2ec87-7
0.544
MAR-UCB-6ab2ec87-6
0.534
ALP-POS-477dc5b7-2
0.529
MIC-UNK-91acba05-5
0.529
EDJ-MED-92e193ae-2
0.529
EDJ-MED-92e193ae-1
0.529
MIC-UNK-91acba05-4
0.519
ALP-POS-477dc5b7-1
0.519
MIC-UNK-45817b9b-2
0.519
ALP-POS-d054b76b-1
0.519
MAR-UCB-6ab2ec87-1
0.515
LUO-POS-868e8996-13
0.505
LUO-POS-868e8996-14
0.505
MIC-UNK-91acba05-3
0.505
MAT-POS-66a736cf-1
0.505
EDJ-MED-fa7708b3-3
0.500
ALF-EVA-5b152d2f-1
0.491
MAT-POS-b3e365b9-2
0.491
MAT-POS-b3e365b9-1
0.491
VLA-UCB-1dbca3b4-15
0.491
BEN-DND-f2e727cd-4
0.491
ALP-UNI-c3ef0aba-2
0.491
MAT-POS-d8472c4f-5
0.491
MAT-POS-78e1d523-1
0.491
MAT-POS-3ccb8ef6-1
0.491
MAT-POS-3ccb8ef6-2
0.491
BEN-DND-f2e727cd-5
0.491
MAT-POS-f7918075-1
0.491
PET-UNK-162c14b2-1
0.486
PET-UNK-4d432d33-2
0.486
PET-UNK-4d432d33-6
0.486
MAT-POS-61f37a1a-12
0.486
EDJ-MED-eb111c00-3
0.486
ROB-UNI-322e8f70-3
0.486
MIC-UNK-91acba05-1
0.486
MAT-POS-22e8b45a-1
0.486
MAT-POS-865c3497-1
0.486
MIC-UNK-45817b9b-1
0.486
MAT-POS-43c25e9b-1
0.486
MAT-POS-865c3497-2
0.486
MAT-POS-43c25e9b-2
0.486
EDJ-MED-a6bd50ad-1
0.486
ALP-POS-fe871b40-2
0.482
ROB-UNI-322e8f70-2
0.481
EDJ-MED-12c115cc-2
0.481
MAT-POS-f7918075-2
0.481
MAT-POS-bbbbc21a-2
0.481
EDJ-MED-12c115cc-1
0.481
PET-UNK-37251634-6
0.479
PET-UNK-37251634-14
0.479
ALP-POS-d054b76b-3
0.478
PET-UNK-f860268d-5
0.477
PET-UNK-f860268d-2
0.477
BEN-DND-f2e727cd-6
0.477
MAT-POS-dd3ad2b5-1
0.477