Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1NCCc2ccc(Cl)cc21 |
MW: | 337.1 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.12598827555955 |
Order Status | |
Ordered: | 2021-02-14 |
Synthesis Location: | enamine |
Shipped: | 2021-03-17 |
EDJ-MED-036ae2e9-1
0.593
ALP-POS-477dc5b7-1
0.591
MIC-UNK-91acba05-4
0.591
EDJ-MED-2791eece-2
0.582
EDJ-MED-b774e9fe-1
0.582
MAT-POS-fb82b63d-3
0.578
EDJ-MED-2791eece-12
0.570
EDJ-MED-036ae2e9-2
0.564
EDJ-MED-2791eece-6
0.559
EDJ-MED-b774e9fe-2
0.559
EDJ-MED-2791eece-10
0.558
MAT-POS-fb82b63d-4
0.558
EDJ-MED-487c5e9f-9
0.557
MAT-POS-3ccb8ef6-2
0.556
MAT-POS-d8472c4f-5
0.556
BEN-DND-f2e727cd-5
0.556
MAT-POS-3ccb8ef6-1
0.556
EDJ-MED-2791eece-5
0.546
ROB-UNI-322e8f70-1
0.544
EDJ-MED-036ae2e9-3
0.542
EDJ-MED-2791eece-1
0.542
EDJ-MED-b774e9fe-3
0.542
EDJ-MED-2791eece-8
0.542
EDJ-MED-2791eece-4
0.541
EDJ-MED-036ae2e9-4
0.540
BEN-DND-f2e727cd-4
0.538
ALP-UNI-c3ef0aba-2
0.538
EDJ-MED-2791eece-11
0.536
EDJ-MED-2791eece-7
0.535
EDJ-MED-036ae2e9-7
0.535
LUO-POS-ba0d8665-1
0.533
VLA-UCB-1dbca3b4-16
0.533
EDJ-MED-036ae2e9-6
0.530
EDJ-MED-036ae2e9-8
0.529
DAR-DIA-0d514e7d-3
0.527
ADA-UCB-dc2b944c-15
0.527
PET-UNK-1b92fa34-1
0.527
MAT-POS-4223bc15-17
0.526
EDJ-MED-036ae2e9-10
0.525
EDJ-MED-036ae2e9-9
0.525
MAT-POS-78e1d523-1
0.522
MAT-POS-dd3ad2b5-1
0.521
BEN-DND-f2e727cd-6
0.521
MAT-POS-8293a91a-5
0.520
MAT-POS-8293a91a-4
0.520
MAT-POS-4223bc15-23
0.520
EDJ-MED-2791eece-3
0.520
PET-UNK-022eab87-1
0.516
MAR-UCB-6ab2ec87-1
0.516
MAR-UCB-6ab2ec87-2
0.516
ALP-POS-477dc5b7-2
0.516
MIC-UNK-91acba05-5
0.516
EDJ-MED-92e193ae-1
0.516
EDJ-MED-92e193ae-2
0.516
ALP-POS-d054b76b-2
0.516
EDJ-MED-487c5e9f-4
0.515
EDJ-MED-487c5e9f-11
0.515
MAT-POS-f7918075-2
0.511
MAT-POS-bbbbc21a-2
0.511
EDJ-MED-12c115cc-1
0.511
EDJ-MED-12c115cc-2
0.511
BEN-DND-d6f8d3c6-1
0.511
ALP-POS-a577c8a2-1
0.511
MAT-POS-af1eef35-3
0.511
EDJ-MED-e18764cb-2
0.511
MAT-POS-4223bc15-19
0.510
PET-UNK-9b23ef84-2
0.510
MAT-POS-24589f88-3
0.510
MAT-POS-24589f88-2
0.510
MAT-POS-dd3ad2b5-2
0.510
MAT-POS-dd3ad2b5-4
0.510
RAL-THA-6e4c80cf-1
0.510
MAT-POS-dd3ad2b5-3
0.510
EDJ-MED-036ae2e9-12
0.510
EDJ-MED-487c5e9f-1
0.510
EDJ-MED-2791eece-9
0.510
EDJ-MED-487c5e9f-5
0.510
VLA-UCB-1dbca3b4-15
0.505
MAT-POS-b3e365b9-1
0.505
MAT-POS-b3e365b9-2
0.505
MAT-POS-f7918075-1
0.505
RAL-THA-ee48ba5f-5
0.505
MAT-POS-4223bc15-26
0.505
MAT-POS-4223bc15-27
0.505
DAR-DIA-4987d2cd-2
0.505
MAT-POS-4223bc15-34
0.505
EDJ-MED-487c5e9f-7
0.505
EDJ-MED-487c5e9f-10
0.505
EDJ-MED-036ae2e9-5
0.505
PET-UNK-162c14b2-1
0.500
EDJ-MED-c40d95bc-2
0.500
MAT-POS-61f37a1a-12
0.500
ROB-UNI-322e8f70-3
0.500
DAR-DIA-70d163b2-3
0.500
MAT-POS-865c3497-2
0.500
EDJ-MED-036ae2e9-11
0.500
MAT-POS-865c3497-1
0.500
MAT-POS-22e8b45a-1
0.500
ALF-EVA-0e90125c-1
0.500
MIC-UNK-91acba05-1
0.500