Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 |
MW: | 461.16 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 63.49 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.70094298650442 |
IC50 (µM) - RapidFire: | 3.78709723716912 |
Order Status | |
Ordered: | 2020-10-04 |
Synthesis Location: | enamine |
Shipped: | 2020-10-21 |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-d2866bdf-1
DAR-DIA-093892e4-11
0.878
CHO-MSK-00c5269a-5
0.818
ALP-POS-6d04362c-5
0.759
ALP-POS-6d04362c-4
0.717
ALP-POS-6d04362c-2
0.716
ALP-POS-bad7201a-15
0.716
CHO-MSK-00c5269a-3
0.716
CHO-MSK-00c5269a-1
0.716
CHO-MSK-00c5269a-2
0.711
DAR-DIA-093892e4-12
0.696
ALP-POS-75715966-5
0.638
DAR-DIA-093892e4-9
0.596
ALP-POS-75715966-1
0.586
ALP-POS-6d04362c-3
0.580
DAR-DIA-093892e4-10
0.569
EDJ-MED-06d94977-2
0.567
ALP-POS-7c842ab8-1
0.564
DAR-DIA-093892e4-7
0.558
PET-UNK-b75fdf9f-1
0.547
DAR-DIA-093892e4-5
0.540
DAR-DIA-093892e4-1
0.534
DAR-DIA-093892e4-8
0.524
ALP-POS-6d04362c-1
0.516
DAR-DIA-093892e4-2
0.514
DAR-DIA-093892e4-3
0.510
DAR-DIA-093892e4-6
0.510
ALP-POS-c59291d4-4
0.495
ALP-POS-bad7201a-5
0.490
ALP-POS-bad7201a-14
0.490
ALP-POS-d2866bdf-1
0.490
OLG-UNK-911c2067-1
0.485
RAL-THA-4a5dabff-1
0.485
RUT-UNI-630c5802-24
0.481
ALP-POS-c59291d4-1
0.476
RUT-UNI-630c5802-27
0.472
PET-UNK-1901c25b-2
0.471
VLA-UCB-34f3ed0c-2
0.471
ROB-IMP-e811baff-1
0.467
RUT-UNI-630c5802-26
0.467
ALP-POS-c0c213c9-6
0.467
MAD-UNK-b1ea4171-1
0.467
MAD-UNK-84a4f939-1
0.467
ALP-POS-c59291d4-3
0.464
ALP-POS-c59291d4-2
0.463
MAT-POS-06036648-5
0.461
ALP-POS-bad7201a-6
0.458
MAT-POS-06036648-1
0.455
ALP-POS-c0c213c9-18
0.453
DAR-DIA-093892e4-4
0.450
RUT-UNI-630c5802-9
0.447
RUT-UNI-630c5802-1
0.446
RAL-THA-4a5dabff-2
0.443
MAT-POS-3b92565d-13
0.443
RUT-UNI-630c5802-5
0.442
RUT-UNI-630c5802-25
0.436
ALP-POS-87c86d55-1
0.433
RAL-THA-4a5dabff-3
0.433
PET-UNK-7374c256-2
0.433
PET-UNK-1901c25b-3
0.433
MAT-POS-06036648-3
0.431
ALP-POS-c0c213c9-12
0.422
RAL-THA-4a5dabff-8
0.416
PET-UNK-b75fdf9f-2
0.415
RUT-UNI-630c5802-13
0.414
MAT-POS-bfb445d4-1
0.412
BEN-DND-02317c5c-12
0.412
BEN-DND-61647d40-12
0.412
MAT-POS-3b92565d-14
0.412
MAT-POS-ffe83904-1
0.412
ALP-POS-87c86d55-2
0.411
ALP-POS-c0c213c9-3
0.411
MAR-LAB-ca4662a6-7
0.398
ALP-POS-c0c213c9-13
0.397
ALP-POS-c0c213c9-15
0.394
UNK-UNK-2ede4078-94
0.392
UNK-UNK-2ede4078-8
0.391
ALP-POS-a3de0cb1-12
0.390
VLA-UCB-05e51b3f-8
0.389
VLA-UCB-50c39ae8-5
0.389
AAR-POS-8a4e0f60-1
0.387
ALP-POS-8ed8d9ec-6
0.384
ALP-POS-bad7201a-1
0.381
MAT-POS-06036648-6
0.381
EDJ-MED-06d94977-1
0.375
MAT-POS-06036648-2
0.375
DAR-DIA-667e571f-7
0.374
RUT-UNI-630c5802-21
0.373
UNK-UNK-2ede4078-29
0.370
RUT-UNI-630c5802-17
0.367
RUT-UNI-630c5802-22
0.366
DAR-DIA-667e571f-3
0.363
ALP-POS-8ed8d9ec-12
0.361
DAR-DIA-667e571f-4
0.361
HOL-KAN-828c7b64-1
0.361
RUT-UNI-630c5802-20
0.360
ALP-POS-c0c213c9-16
0.360
HOL-KAN-47917554-1
0.360
ALP-POS-a3de0cb1-2
0.358
MAT-POS-06036648-4
0.358
DAR-DIA-667e571f-2
0.358