Molecular Properties | |
SMILES: | O=C1C(c2ccc(Cl)c(Cl)c2)CCCN1c1cncc2ccccc12 |
MW: | 370.06 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 5.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.44540110056934 |
Order Status | |
Ordered: | 2021-01-14 |
Synthesis Location: | enamine |
Shipped: | 2021-02-24 |
ALP-POS-e0fe77e5-1
1.000
ALP-POS-ce760d3f-8
0.743
PET-UNK-c9c1e0d8-3
0.737
ALP-POS-e0fe77e5-2
0.692
BEN-DND-d1eb1f41-15
0.642
PET-UNK-c9c1e0d8-4
0.585
EDG-MED-5d232de5-7
0.585
EDG-MED-5d232de5-8
0.585
GIA-UNK-80c9bc96-1
0.585
MIC-UNK-0a05c952-4
0.545
ALP-POS-e0fe77e5-3
0.537
ALP-UNI-58319883-1
0.536
MIC-UNK-0a05c952-3
0.511
MIC-UNK-d854bf4c-4
0.505
MIC-UNK-d854bf4c-8
0.500
MAT-POS-1f3f1a6f-5
0.494
MIC-UNK-d854bf4c-2
0.474
ALP-POS-bb8a3193-5
0.473
MIC-UNK-d854bf4c-6
0.469
MAT-POS-24589f88-14
0.467
MIC-UNK-50cce87d-10
0.467
BEN-DND-d1eb1f41-7
0.467
ALP-POS-e0fe77e5-10
0.458
BEN-DND-d1eb1f41-9
0.457
PET-UNK-431b3bfb-1
0.457
ALP-UNI-58319883-2
0.457
ALP-POS-bb8a3193-9
0.455
MIC-UNK-50cce87d-9
0.452
PET-UNK-7be94445-1
0.448
MIC-UNK-50cce87d-11
0.447
EDJ-MED-28b38b9b-2
0.447
PET-UNK-7b413b46-1
0.446
PET-UNK-7b413b46-5
0.446
ALP-POS-df536be7-4
0.446
PET-UNK-7be94445-2
0.442
ALP-POS-e0fe77e5-4
0.434
PET-UNK-7b413b46-2
0.433
PET-UNK-7b413b46-6
0.433
MIC-UNK-50cce87d-12
0.433
BEN-DND-d1eb1f41-8
0.432
JUL-TUD-06b2044f-15
0.422
MIC-UNK-d854bf4c-3
0.422
EDJ-MED-96f6b92c-1
0.421
MIC-UNK-d854bf4c-7
0.417
PET-UNK-7b413b46-3
0.417
PET-UNK-7b413b46-7
0.417
EDJ-MED-28b38b9b-1
0.417
EDJ-MED-28b38b9b-3
0.415
PET-UNK-689df078-1
0.415
VLA-UCB-1dbca3b4-10
0.415
MAT-POS-d8472c4f-1
0.413
MAT-POS-8695a11f-1
0.413
MAT-POS-8695a11f-3
0.413
ALP-UNI-dbb9503d-2
0.412
JUL-TUD-06b2044f-89
0.412
DAR-DIA-0f7b7cd9-10
0.407
PET-UNK-3e354a91-1
0.406
DAR-DIA-f6ee7aeb-1
0.406
PET-UNK-4dc48bbe-8
0.404
VLA-UCB-1dbca3b4-6
0.402
DAR-DIA-5d6f1b43-12
0.402
DAR-DIA-0f7b7cd9-7
0.400
JUL-TUD-06b2044f-112
0.400
MIC-UNK-9582b2c5-1
0.400
EDJ-MED-94fddcec-4
0.400
EDJ-MED-d4864bdc-3
0.400
JAG-UCB-f37eaa14-6
0.400
ALP-UNI-dbb9503d-1
0.400
ALP-POS-41e2080f-1
0.400
YVE-CNR-132fc2df-1
0.400
MAT-POS-e20a5dfb-1
0.398
MAT-POS-e20a5dfb-2
0.398
ALP-POS-e0fe77e5-7
0.398
ALP-POS-477dc5b7-5
0.398
ALP-POS-e0fe77e5-13
0.398
ALP-POS-afe0272e-2
0.396
JAG-UCB-f37eaa14-1
0.396
VLA-UNK-c65c1026-1
0.396
ALP-POS-bb8a3193-4
0.395
JAG-UCB-f37eaa14-9
0.394
MIC-UNK-d854bf4c-1
0.394
MIC-UNK-0a05c952-2
0.394
DAR-DIA-f6ee7aeb-6
0.393
DAR-DIA-6be260fc-6
0.392
PET-UNK-5ddd54c7-2
0.392
MIC-UNK-d854bf4c-5
0.390
DAR-DIA-6be260fc-4
0.388
MAT-POS-a9372f04-1
0.388
PET-UNK-4dc48bbe-6
0.387
VLA-UCB-1dbca3b4-17
0.387
MAT-POS-983b399a-1
0.386
ALP-POS-477dc5b7-4
0.386
DAR-DIA-6be260fc-3
0.386
EDJ-MED-159244ea-1
0.386
VLA-UCB-1dbca3b4-18
0.385
PET-UNK-abc197b8-1
0.385
DAR-DIA-6be260fc-2
0.385
MIC-UNK-0a05c952-1
0.384
DAR-DIA-0f7b7cd9-5
0.383
DAR-DIA-6be260fc-5
0.382