Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2[nH]ncc12 |
MW: | 286.06 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 70.67 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 21.8158142685698 |
Order Status | |
Ordered: | 2021-03-23 |
Synthesis Location: | enamine |
Shipped: | 2021-05-06 |
ADA-UCB-6c2cb422-1
PET-UNK-b1ef24dc-36
PET-UNK-b1ef24dc-34
PET-UNK-b1ef24dc-32
PET-UNK-b1ef24dc-30
PET-UNK-b1ef24dc-25
PET-UNK-b1ef24dc-24
PET-UNK-b1ef24dc-23
PET-UNK-b1ef24dc-22
PET-UNK-b1ef24dc-20
PET-UNK-b1ef24dc-19
PET-UNK-b1ef24dc-18
PET-UNK-b1ef24dc-17
PET-UNK-b1ef24dc-16
PET-UNK-b1ef24dc-15
PET-UNK-b1ef24dc-13
PET-UNK-b1ef24dc-8
PET-UNK-b1ef24dc-7
PET-UNK-b1ef24dc-4
PET-UNK-b1ef24dc-3
PET-UNK-b1ef24dc-1
PET-UNK-b1ef24dc-28
PET-UNK-b1ef24dc-27
PET-UNK-b1ef24dc-26
PET-UNK-b1ef24dc-21
PET-UNK-b1ef24dc-14
PET-UNK-b1ef24dc-9
PET-UNK-b1ef24dc-6
PET-UNK-b1ef24dc-31
PET-UNK-b1ef24dc-29
PET-UNK-b1ef24dc-11
PET-UNK-b1ef24dc-2
PET-UNK-b1ef24dc-33
PET-UNK-b1ef24dc-12
PET-UNK-b1ef24dc-5
PET-UNK-b1ef24dc-10
PET-UNK-b1ef24dc-35
PET-UNK-0df12184-1
PET-UNK-0df12184-4
PET-UNK-0df12184-3
PET-UNK-0df12184-5
PET-UNK-0df12184-2
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-14
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-3
PET-UNK-ab76d8f6-6
PET-UNK-ab76d8f6-4
PET-UNK-ab76d8f6-3
PET-UNK-ab76d8f6-2
PET-UNK-ab76d8f6-5
PET-UNK-ab76d8f6-1
VLA-UCB-00f2c2b3-7
0.629
JIN-POS-6dc588a4-12
0.625
MAT-POS-bb423b95-9
0.597
MAT-POS-bb423b95-8
0.581
RUB-POS-1325a9ea-12
0.568
ADA-UCB-6c2cb422-1
0.562
MAT-POS-bb423b95-1
0.554
MIC-UNK-08cd9c58-1
0.553
MAT-POS-f7918075-3
0.553
MIC-UNK-8971c93c-1
0.553
MAT-POS-f7918075-4
0.553
EDG-MED-0da5ad92-21
0.551
JIN-POS-6dc588a4-22
0.547
PET-UNK-7f7e354d-7
0.547
JIN-POS-6dc588a4-13
0.547
MAT-POS-c20a539d-6
0.545
MAT-POS-29385cc1-3
0.545
RUB-POS-1325a9ea-4
0.545
RUB-POS-1325a9ea-5
0.539
PET-UNK-b1ef24dc-3
0.539
PET-UNK-b1ef24dc-4
0.539
MAT-POS-f7918075-5
0.539
MAT-POS-90fd5f68-37
0.538
MAT-POS-90fd5f68-38
0.538
JAN-GHE-5a013bed-10
0.536
EDJ-MED-c8e7a002-12
0.533
JIN-POS-6dc588a4-11
0.532
RUB-POS-1325a9ea-15
0.532
MAT-POS-90fd5f68-6
0.531
MIC-UNK-d935700b-1
0.527
MAT-POS-90fd5f68-40
0.526
JIN-POS-6dc588a4-18
0.526
MAT-POS-c20a539d-4
0.525
PET-UNK-6314f867-2
0.525
MAT-POS-c20a539d-5
0.525
MAT-POS-c20a539d-2
0.519
PET-UNK-b38839dc-2
0.519
MAT-POS-90fd5f68-24
0.518
PET-UNK-8df914d1-3
0.514
MAT-POS-90fd5f68-1
0.512
PET-UNK-8df914d1-1
0.512
EDJ-MED-00c1612e-1
0.512
MAT-POS-90fd5f68-19
0.512
MAT-POS-90fd5f68-2
0.512
ALP-POS-95b75b4d-8
0.507
SAM-UNK-2684b532-13
0.507
PET-UNK-e274cad4-6
0.506
EDJ-MED-a364e151-3
0.506
PET-UNK-d899bab6-1
0.506
MAT-POS-90fd5f68-25
0.506
MAT-POS-c0609ef7-1
0.506
MAT-POS-90fd5f68-22
0.506
MAT-POS-c20a539d-1
0.506
MAT-POS-90fd5f68-7
0.506
MAT-POS-90fd5f68-4
0.506
MAT-POS-c20a539d-3
0.506
MAT-POS-199e2e7c-2
0.500
PET-UNK-f4e47ebd-2
0.500
TRY-UNI-714a760b-3
0.500
MAT-POS-199e2e7c-1
0.500
MIC-UNK-d935700b-2
0.500
MAT-POS-90fd5f68-29
0.500
MAT-POS-90fd5f68-11
0.500
JIN-POS-6dc588a4-14
0.500
PET-UNK-f4e47ebd-1
0.500
PET-UNK-d899bab6-3
0.500
MAT-POS-90fd5f68-12
0.500
MAT-POS-90fd5f68-20
0.500
MAT-POS-90fd5f68-30
0.500
ALP-POS-95b75b4d-6
0.500
MAT-POS-90fd5f68-41
0.500
MAT-POS-90fd5f68-39
0.494
MAT-POS-29385cc1-2
0.494
PET-UNK-d899bab6-2
0.494
EDJ-MED-a364e151-1
0.494
MAT-POS-f7918075-8
0.494
EDJ-MED-6ab52e52-1
0.494
MIC-UNK-50cce87d-2
0.494
TRY-UNI-714a760b-6
0.493
JAN-GHE-5a013bed-9
0.493
MAT-POS-90fd5f68-8
0.488
MAT-POS-90fd5f68-23
0.488
MAT-POS-c20a539d-8
0.488
PET-UNK-b38839dc-1
0.488
MAT-POS-29385cc1-1
0.488
MAT-POS-90fd5f68-3
0.488
MAT-POS-90fd5f68-27
0.488
MAT-POS-90fd5f68-35
0.488
MAT-POS-90fd5f68-9
0.488
MAT-POS-90fd5f68-17
0.488
MAT-POS-90fd5f68-21
0.488
MIC-UNK-9dc9fcd1-1
0.488
RUB-POS-1325a9ea-1
0.487
MAT-POS-f7918075-7
0.487
SAM-UNK-2684b532-12
0.487
JIN-POS-6dc588a4-4
0.487
RUB-POS-1325a9ea-19
0.487
MAT-POS-bb423b95-5
0.487
ABI-SAT-4d06482b-2
0.486
SID-ELM-2583a2cd-10
0.486