Molecular Properties | |
SMILES: | NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(-c3ccccc3)cc2)nn1 |
MW: | 403.15 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 77.04 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-05-26 |
Synthesis Location: | sai |
Shipped: | 2020-08-05 |
AAR-POS-d2a4d1df-1
ALP-POS-c0c213c9-11
0.675
ALP-POS-c0c213c9-12
0.644
ALP-POS-c59291d4-1
0.573
ALP-POS-c0c213c9-7
0.533
RAL-THA-d07c7800-2
0.515
ALP-POS-c0c213c9-4
0.505
RAL-THA-4a5dabff-1
0.435
ALP-POS-c0c213c9-6
0.434
RAL-THA-d07c7800-5
0.423
PET-UNK-b75fdf9f-1
0.421
PET-UNK-b75fdf9f-3
0.418
RAL-THA-d07c7800-1
0.417
RAL-THA-d07c7800-3
0.417
ALP-POS-bad7201a-5
0.414
ALP-POS-d2866bdf-1
0.412
MAD-UNK-b1ea4171-1
0.406
MAD-UNK-84a4f939-1
0.406
ALP-POS-c59291d4-4
0.404
RAL-THA-d07c7800-4
0.400
ALP-POS-8ed8d9ec-7
0.398
PET-UNK-7374c256-1
0.398
PET-UNK-1901c25b-2
0.396
ROB-IMP-e811baff-1
0.394
RUT-UNI-630c5802-24
0.392
RUT-UNI-630c5802-26
0.392
RUT-UNI-630c5802-1
0.389
RUT-UNI-630c5802-27
0.385
ALP-POS-6d04362c-3
0.377
ALP-POS-6d04362c-4
0.377
ALP-POS-c59291d4-2
0.377
ALP-POS-8ed8d9ec-10
0.371
RUT-UNI-630c5802-3
0.371
UNK-UNK-2ede4078-44
0.370
RAL-THA-4a5dabff-2
0.369
ALP-POS-c59291d4-3
0.367
RAL-THA-d07c7800-6
0.364
HOL-KAN-828c7b64-1
0.363
PET-UNK-55f647aa-3
0.362
MAT-POS-ffe83904-1
0.357
RUT-UNI-630c5802-25
0.357
RAL-THA-4a5dabff-3
0.356
RUT-UNI-630c5802-2
0.352
ALP-POS-bad7201a-9
0.350
PET-UNK-1901c25b-1
0.340
PET-UNK-b75fdf9f-2
0.340
RAL-THA-4a5dabff-8
0.333
RUT-UNI-630c5802-4
0.333
PET-UNK-55f647aa-2
0.327
ALP-POS-8ed8d9ec-12
0.316
MAK-UNK-b7886382-2
0.313
RUT-UNI-630c5802-20
0.311
ALP-POS-c0c213c9-8
0.310
NAU-LAT-a5c7d7cb-4
0.306
RUT-UNI-630c5802-17
0.305
ALP-POS-c0c213c9-3
0.304
RUT-UNI-630c5802-21
0.299
NIR-WEI-75ed5c39-1
0.294
RUT-UNI-630c5802-18
0.292
MAR-LAB-efb042c5-6
0.291
PET-UNK-55f647aa-1
0.288
RUT-UNI-630c5802-23
0.288
JAR-KUA-672ec752-7
0.287
UNK-UNK-2ede4078-14
0.286
RUT-UNI-630c5802-22
0.282
ALP-POS-6d04362c-1
0.282
RUT-UNI-630c5802-19
0.278
ALP-POS-c0c213c9-15
0.273
ALP-POS-bad7201a-4
0.271
ALP-POS-87c86d55-1
0.269
CHO-MSK-00c5269a-1
0.264
ALP-POS-bad7201a-14
0.261
RAL-THA-4a5dabff-5
0.261
DAR-DIA-093892e4-7
0.259
ALP-POS-6d04362c-5
0.259
RUT-UNI-630c5802-5
0.258
ALP-POS-a3de0cb1-10
0.257
ALP-POS-a3de0cb1-9
0.257
ALP-POS-8ed8d9ec-13
0.257
CHO-MSK-00c5269a-2
0.257
DAR-DIA-093892e4-5
0.257
ALP-POS-bad7201a-10
0.255
RAL-THA-4a5dabff-4
0.255
OLG-UNK-911c2067-1
0.255
RUT-UNI-630c5802-9
0.254
RED-RED-10c9212c-17
0.253
CHO-MSK-00c5269a-3
0.252
NAU-LAT-ec9c7557-6
0.252
ALP-POS-bad7201a-15
0.252
ALP-POS-6d04362c-2
0.252
ALP-POS-bad7201a-6
0.252
DAR-DIA-093892e4-9
0.248
ALP-POS-87c86d55-2
0.248
RUT-UNI-630c5802-8
0.248
DAR-DIA-093892e4-11
0.246
HOL-KAN-47917554-1
0.244
JUL-TUD-06b2044f-43
0.243
STE-KUL-2e0d2e88-7
0.242
DAR-DIA-093892e4-4
0.242
DAR-DIA-093892e4-12
0.241
ALP-POS-c0c213c9-14
0.241