Molecular Properties | |
SMILES: | N#Cc1cccc(C2CN(C(=O)CCl)Cc3ccccc32)c1 |
MW: | 310.784 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 44.1 |
cLogP: | 3.27118 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-547-894 |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.17209011887828 |
IC50 (µM) - RapidFire: | 1.44102015403721 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
NIR-THE-c331be7a-6
0.706
DAR-DIA-caba39e3-1
0.681
NIR-THE-c331be7a-1
0.681
AAR-POS-0daf6b7e-14
0.652
DAR-DIA-caba39e3-2
0.644
NIR-THE-c331be7a-4
0.547
MIH-UNI-e573136b-9
0.547
TAM-UNI-d1c3dd9f-7
0.534
NIR-THE-c331be7a-5
0.518
MIH-UNI-e573136b-12
0.518
TAM-UNI-d1c3dd9f-3
0.518
DAV-CRI-3fe943ba-1
0.518
DAV-CRI-3fe943ba-2
0.512
JAR-IMP-ed466bb3-2
0.506
TAM-UNI-d1c3dd9f-8
0.506
TAM-UNI-d1c3dd9f-10
0.494
DAR-DIA-caba39e3-7
0.476
DAR-DIA-caba39e3-8
0.476
DAR-DIA-caba39e3-9
0.471
TAM-UNI-d1c3dd9f-11
0.469
DAR-DIA-caba39e3-12
0.459
IND-SYN-6c8299e8-3
0.459
MIH-UNI-e573136b-10
0.456
JAR-IMP-ed466bb3-8
0.450
THO-SYG-4e0386bb-1
0.444
DAR-DIA-caba39e3-3
0.440
MIH-UNI-e573136b-11
0.415
MIH-UNI-e573136b-15
0.414
DAR-DIA-caba39e3-10
0.412
RAI-NOV-a7d52b4a-3
0.404
RAI-NOV-a7d52b4a-1
0.402
DAR-DIA-caba39e3-4
0.402
SAL-INS-1c7a5a55-1
0.400
JAR-IMP-ed466bb3-3
0.398
MAK-UNK-702fb7d3-13
0.395
MIC-UNK-e8a42ca9-2
0.394
DAR-DIA-caba39e3-13
0.392
DAR-DIA-caba39e3-11
0.388
DAR-DIA-caba39e3-5
0.386
DAR-DIA-caba39e3-6
0.386
JAN-LUN-04aedcc0-6
0.382
MIC-UNK-e8a42ca9-1
0.381
SAL-INS-1c7a5a55-5
0.380
REN-UFA-aaaed2d6-1
0.379
REN-UFA-aaaed2d6-3
0.376
NIR-THE-c331be7a-3
0.375
REN-UFA-aaaed2d6-2
0.368
REN-UFA-aaaed2d6-5
0.367
REN-UFA-aaaed2d6-6
0.367
JAR-IMP-ed466bb3-12
0.366
MAK-UNK-10dfa458-40
0.366
SAL-INS-1c7a5a55-2
0.364
MAT-POS-ee51dedd-1
0.362
RAI-NOV-a7d52b4a-2
0.360
THO-SYG-4e0386bb-3
0.358
MAT-POS-7174c657-3
0.356
JAR-IMP-ed466bb3-13
0.352
MAK-UNK-702fb7d3-14
0.350
TAT-ENA-80bfd3e5-10
0.349
DAR-DIA-3e9bbd81-11
0.349
THO-SYG-4e0386bb-2
0.347
RAI-NOV-a7d52b4a-5
0.347
JAR-IMP-ed466bb3-6
0.346
PAU-WEI-b9b69149-4
0.344
MAK-UNK-ec98eaf6-40
0.344
JAR-IMP-ed466bb3-7
0.341
SAD-SAT-1f400d17-9
0.341
RAI-NOV-a7d52b4a-4
0.340
RAI-NOV-2f6a9876-6
0.337
REN-UFA-aaaed2d6-4
0.337
JOH-MSK-2d8052dc-1
0.337
PAU-WEI-b9b69149-6
0.333
SEA-TRI-fac72a44-1
0.330
JAR-IMP-ed466bb3-4
0.327
SAL-INS-1c7a5a55-3
0.327
MAK-UNK-702fb7d3-12
0.325
SAL-INS-1c7a5a55-4
0.320
SAL-INS-1c7a5a55-6
0.317
SAD-SAT-c989feaa-2
0.316
DAR-DIA-3e9bbd81-7
0.316
MAK-UNK-702fb7d3-17
0.314
WAR-XCH-bdd24732-19
0.310
PAU-WEI-b9b69149-5
0.310
MAK-UNK-702fb7d3-1
0.309
DRR-IMP-38dce17f-7
0.308
MAK-UNK-6ca90168-14
0.308
MAK-UNK-987948f6-3
0.308
JAN-LUN-04aedcc0-7
0.307
MAK-UNK-10dfa458-41
0.307
TRY-UNI-9f475305-12
0.306
DAV-CRI-1c77f7a9-3
0.303
DAV-CRI-1c77f7a9-4
0.301
DAR-DIA-3e9bbd81-16
0.300
NIM-UNI-310206f0-35
0.299
DOU-UNK-b5326f8f-14
0.299
MAK-UNK-702fb7d3-9
0.298
DAV-CRI-1c77f7a9-1
0.296
MAK-UNK-ec98eaf6-51
0.294
DAR-DIA-fb20be43-6
0.293
MIC-UNK-df342a3f-1
0.293