Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 393.16 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 51.51 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.79372477414291 |
IC50 (µM) - RapidFire: | 5.36883150229248 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
N,N-Dialkyl aniline derivatives (2)
AAR-POS-d2a4d1df-1
DAR-DIA-53551c05-22
DAR-DIA-53551c05-21
DAR-DIA-53551c05-17
DAR-DIA-53551c05-16
DAR-DIA-53551c05-15
DAR-DIA-53551c05-12
DAR-DIA-53551c05-8
DAR-DIA-53551c05-6
DAR-DIA-53551c05-5
DAR-DIA-53551c05-4
DAR-DIA-53551c05-2
DAR-DIA-53551c05-19
DAR-DIA-53551c05-18
DAR-DIA-53551c05-14
DAR-DIA-53551c05-13
DAR-DIA-53551c05-11
DAR-DIA-53551c05-10
DAR-DIA-53551c05-9
DAR-DIA-53551c05-7
DAR-DIA-53551c05-3
DAR-DIA-53551c05-1
DAR-DIA-53551c05-20
MIC-UNK-d36ab305-6
MIC-UNK-d36ab305-5
MIC-UNK-d36ab305-4
MIC-UNK-d36ab305-1
MIC-UNK-d36ab305-3
MIC-UNK-d36ab305-2
ALP-POS-6d04362c-2
ALP-POS-6d04362c-5
ALP-POS-6d04362c-4
ALP-POS-6d04362c-3
ALP-POS-6d04362c-1
PET-UNK-b75fdf9f-3
PET-UNK-b75fdf9f-1
PET-UNK-b75fdf9f-2
DAR-DIA-667e571f-4
DAR-DIA-667e571f-2
DAR-DIA-667e571f-1
DAR-DIA-667e571f-7
DAR-DIA-667e571f-6
DAR-DIA-667e571f-5
DAR-DIA-667e571f-3
PET-UNK-1901c25b-3
PET-UNK-1901c25b-1
PET-UNK-1901c25b-2
CHO-MSK-00c5269a-4
CHO-MSK-00c5269a-3
CHO-MSK-00c5269a-5
CHO-MSK-00c5269a-2
CHO-MSK-00c5269a-1
MIC-UNK-cdc2493e-24
MIC-UNK-cdc2493e-22
MIC-UNK-cdc2493e-21
MIC-UNK-cdc2493e-19
MIC-UNK-cdc2493e-17
MIC-UNK-cdc2493e-16
MIC-UNK-cdc2493e-15
MIC-UNK-cdc2493e-14
MIC-UNK-cdc2493e-13
MIC-UNK-cdc2493e-9
MIC-UNK-cdc2493e-8
MIC-UNK-cdc2493e-6
MIC-UNK-cdc2493e-5
MIC-UNK-cdc2493e-4
MIC-UNK-cdc2493e-3
MIC-UNK-cdc2493e-23
MIC-UNK-cdc2493e-20
MIC-UNK-cdc2493e-18
MIC-UNK-cdc2493e-11
MIC-UNK-cdc2493e-10
MIC-UNK-cdc2493e-7
MIC-UNK-cdc2493e-2
MIC-UNK-cdc2493e-12
MIC-UNK-cdc2493e-1
VLA-UCB-551c2366-1
MIC-UNK-96659df2-8
MIC-UNK-96659df2-6
MIC-UNK-96659df2-3
MIC-UNK-96659df2-1
MIC-UNK-96659df2-5
MIC-UNK-96659df2-4
MIC-UNK-96659df2-2
MIC-UNK-96659df2-7
PET-UNK-b75fdf9f-1
0.813
RUT-UNI-630c5802-26
0.810
RAL-THA-4a5dabff-1
0.797
ALP-POS-c59291d4-4
0.795
ALP-POS-bad7201a-5
0.785
PET-UNK-1901c25b-2
0.775
ALP-POS-c0c213c9-6
0.765
RUT-UNI-630c5802-24
0.765
ALP-POS-c59291d4-1
0.762
RAL-THA-4a5dabff-2
0.753
RUT-UNI-630c5802-27
0.747
ROB-IMP-e811baff-1
0.738
ALP-POS-c59291d4-2
0.729
ALP-POS-6d04362c-1
0.727
ALP-POS-6d04362c-3
0.709
ALP-POS-6d04362c-4
0.709
RAL-THA-4a5dabff-3
0.704
DAR-DIA-093892e4-7
0.691
CHO-MSK-00c5269a-3
0.687
ALP-POS-6d04362c-2
0.687
ALP-POS-bad7201a-15
0.687
ALP-POS-c59291d4-3
0.685
ALP-POS-87c86d55-1
0.683
RUT-UNI-630c5802-1
0.678
DAR-DIA-093892e4-5
0.663
RAL-THA-4a5dabff-8
0.656
MAT-POS-ffe83904-1
0.653
RUT-UNI-630c5802-25
0.653
PET-UNK-1901c25b-3
0.643
PET-UNK-7374c256-2
0.643
PET-UNK-b75fdf9f-2
0.635
DAR-DIA-093892e4-9
0.633
DAR-DIA-093892e4-1
0.633
DAR-DIA-093892e4-2
0.626
PET-UNK-b75fdf9f-3
0.625
ALP-POS-8ed8d9ec-7
0.624
PET-UNK-7374c256-1
0.624
DAR-DIA-093892e4-3
0.622
DAR-DIA-093892e4-6
0.622
DAR-DIA-093892e4-8
0.620
DAR-DIA-093892e4-4
0.613
DAR-DIA-093892e4-10
0.602
RUT-UNI-630c5802-21
0.591
RUT-UNI-630c5802-17
0.586
RUT-UNI-630c5802-18
0.586
RAL-THA-4a5dabff-5
0.584
RUT-UNI-630c5802-20
0.573
RUT-UNI-630c5802-19
0.562
RUT-UNI-630c5802-22
0.560
CHO-MSK-00c5269a-1
0.556
MAD-UNK-84a4f939-1
0.554
MAD-UNK-b1ea4171-1
0.554
OLG-UNK-911c2067-1
0.544
CHO-MSK-00c5269a-2
0.538
HOL-KAN-828c7b64-1
0.535
ALP-POS-bad7201a-14
0.533
ALP-POS-75715966-5
0.521
DAR-DIA-093892e4-11
0.521
RUT-UNI-630c5802-23
0.516
MAT-POS-06036648-1
0.511
ALP-POS-6d04362c-5
0.511
DAR-DIA-093892e4-12
0.510
ALP-POS-75715966-1
0.505
ALP-POS-87c86d55-2
0.500
ALP-POS-7c842ab8-1
0.500
RUT-UNI-630c5802-5
0.490
CHO-MSK-00c5269a-5
0.490
CHO-MSK-00c5269a-4
0.490
RUT-UNI-630c5802-9
0.481
MAR-LAB-ca4662a6-7
0.469
PET-UNK-55f647aa-3
0.466
EDJ-MED-06d94977-2
0.461
MAT-POS-06036648-2
0.459
ALP-POS-c0c213c9-18
0.459
RAL-THA-4a5dabff-4
0.457
ALP-POS-c0c213c9-15
0.454
EDJ-MED-06d94977-1
0.451
ALP-POS-bad7201a-9
0.443
UNK-UNK-2ede4078-94
0.440
PET-UNK-1901c25b-1
0.433
RAL-THA-4a5dabff-7
0.433
UNK-UNK-2ede4078-81
0.426
AAR-POS-8a4e0f60-8
0.422
DAR-DIA-667e571f-2
0.418
RUT-UNI-630c5802-13
0.417
AAR-POS-8a4e0f60-1
0.416
RAL-THA-d07c7800-1
0.413
RAL-THA-4a5dabff-6
0.413
ALP-POS-c0c213c9-3
0.413
ALP-POS-c0c213c9-5
0.412
MAT-POS-06036648-5
0.408
UNK-UNK-2ede4078-29
0.407
VLA-UCB-34f3ed0c-2
0.406
AAR-POS-8a4e0f60-7
0.406
WIL-UNI-2e73223c-2
0.406
ALP-POS-c0c213c9-11
0.400
ALP-POS-c0c213c9-12
0.398
RAL-THA-d07c7800-3
0.398
HOL-KAN-47917554-1
0.395
UNK-UNK-2ede4078-8
0.393