Molecular Properties | |
SMILES: | C[C@]1(C(=O)Nc2cncc3ccccc23)CCNc2cc(Cl)c(Cl)cc21 |
MW: | 385.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 5.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 97.6607864770449 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-04-14 |
MAT-POS-c74bc7b3-2
1.000
EDJ-MED-2f867453-2
0.728
EDJ-MED-4f704dc9-1
0.686
MIC-UNK-ea4eb352-7
0.686
EDJ-MED-9e38fd34-4
0.562
EDJ-MED-9e38fd34-6
0.562
EDJ-MED-9e38fd34-5
0.562
NIR-THE-3fc2bec4-1
0.552
ALP-POS-fe871b40-12
0.552
MIC-UNK-ea4eb352-11
0.552
EDJ-MED-2f867453-1
0.549
BEN-DND-a02b439d-13
0.521
EDJ-MED-70ab3faf-1
0.516
MAT-POS-d8472c4f-3
0.515
MIC-UNK-ea4eb352-3
0.515
BEN-DND-a7517465-4
0.511
MAT-POS-8e4737f4-1
0.511
DAR-DIA-6a508060-10
0.511
EDJ-MED-e4b030d8-13
0.511
EDJ-MED-4f704dc9-2
0.505
MAT-POS-f9802937-8
0.500
ALP-UNI-3735e77e-4
0.500
MAT-POS-f9802937-9
0.500
MAT-POS-78e1d523-6
0.500
DAR-DIA-ecdbc7dd-15
0.500
VLA-UNK-8e76d113-4
0.500
MAT-POS-64942dd0-4
0.500
MAT-POS-78e1d523-5
0.500
RAL-THA-176e263b-4
0.495
EDJ-MED-37aac4bd-1
0.495
MAT-POS-78e1d523-3
0.495
EDJ-MED-d08626de-3
0.495
MAT-POS-78e1d523-4
0.495
EDJ-MED-d08626de-4
0.495
EDJ-MED-d08626de-5
0.495
MAT-POS-22e8b45a-2
0.495
MIC-UNK-ea4eb352-8
0.495
MIC-UNK-ea4eb352-5
0.490
ALF-EVA-b701bd13-5
0.490
VLA-UNK-8e76d113-3
0.486
EDJ-MED-841e0cf0-1
0.485
EDJ-MED-670ad2ee-1
0.485
MIC-UNK-ea4eb352-6
0.485
BEN-DND-a02b439d-12
0.485
ALP-POS-fe871b40-8
0.485
DAR-DIA-ecdbc7dd-17
0.481
DAR-DIA-ecdbc7dd-14
0.480
MAT-POS-83f73d0a-3
0.480
MAT-POS-806462de-1
0.480
MAT-POS-806462de-2
0.480
RAL-THA-176e263b-3
0.480
ALP-POS-1cbc2fae-1
0.480
JUL-TUD-06b2044f-83
0.475
MAT-POS-2e8b2191-5
0.474
DAR-DIA-ecdbc7dd-19
0.472
MAT-POS-2e8b2191-4
0.469
MAT-POS-fb82b63d-2
0.469
DAR-DIA-ecdbc7dd-9
0.467
LUO-POS-433ce175-1
0.464
EDJ-MED-9e38fd34-2
0.463
EDJ-MED-9e38fd34-1
0.463
EDJ-MED-9e38fd34-3
0.463
DAR-DIA-ecdbc7dd-7
0.459
DAR-DIA-ecdbc7dd-8
0.458
PET-UNK-757f8bc8-7
0.458
ALP-POS-fe871b40-4
0.457
MAT-POS-83f73d0a-4
0.456
EDJ-MED-37aac4bd-2
0.456
MAT-POS-932d1078-5
0.456
MAT-POS-932d1078-4
0.456
ALP-POS-e266d783-2
0.455
MAT-UNK-28cf4d29-1
0.455
MAT-POS-89bd6af1-3
0.455
MAT-POS-c7771779-2
0.455
MIC-UNK-ea4eb352-12
0.455
MAT-POS-89e65850-1
0.455
JOH-UNI-e398da21-1
0.455
ALF-EVA-b701bd13-6
0.455
PET-UNK-757f8bc8-8
0.453
ALF-EVA-b701bd13-4
0.453
MIC-UNK-ea4eb352-1
0.451
EDJ-MED-211392e3-1
0.451
NAU-LAT-2fed8305-2
0.451
MIC-UNK-ea4eb352-4
0.450
DAR-DIA-ecdbc7dd-12
0.450
PET-UNK-757f8bc8-5
0.450
MAT-POS-c7771779-1
0.449
VLA-UCB-1dbca3b4-14
0.449
EDJ-MED-e4b030d8-1
0.449
DAR-DIA-0d514e7d-30
0.449
MAT-POS-c88128cb-5
0.449
LUO-POS-66f38ea0-1
0.449
ALP-POS-fe871b40-11
0.447
MAT-POS-993cdc78-1
0.447
MAT-POS-993cdc78-2
0.447
VLA-UNK-a5257d84-1
0.446
EDJ-MED-82bd779b-1
0.445
DAR-DIA-ecdbc7dd-10
0.445
PET-UNK-757f8bc8-6
0.445
ALF-EVA-82cf4849-1
0.444