Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nn1cnc2ccccc2c1=O |
MW: | 313.06 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 63.99 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1079600034 |
Enamine Extended REAL: | s_11____53393____3020516 |
Mcule: | MCULE-4197795724 |
MolPort: | MolPort-047-549-551 |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.64546417390745 |
IC50 (µM) - RapidFire: | 99.0 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
Singel acyclic N-N bonds
ALE-HEI-f28a35b5-9
JAN-GHE-5a013bed-2
0.583
JAN-GHE-74b8b0cb-1
0.563
JAN-GHE-f4ca5a00-10
0.530
JAN-GHE-5a013bed-4
0.521
MAT-POS-06036648-7
0.506
JAN-GHE-f4ca5a00-8
0.488
JAN-GHE-5a013bed-5
0.485
JAN-GHE-f4ca5a00-5
0.472
JIN-POS-6dc588a4-7
0.468
JIN-POS-6dc588a4-21
0.457
KRI-MAR-d2e3ef86-19
0.456
UNK-UNK-2ede4078-25
0.456
VLA-UNK-4cf5aa07-2
0.449
JAN-GHE-f4ca5a00-16
0.443
MAT-POS-bfb445d4-2
0.438
JAN-GHE-f4ca5a00-14
0.438
VLA-UNK-4cf5aa07-1
0.436
PET-UNK-158bee2a-1
0.436
JAN-GHE-f4ca5a00-2
0.435
JAN-GHE-5a013bed-1
0.427
BAR-COM-0f94fc3d-12
0.412
NAU-LAT-a5c7d7cb-11
0.410
MAT-POS-f7918075-6
0.410
EDJ-MED-50fe53e8-2
0.410
JIN-POS-6dc588a4-5
0.407
JOH-UNI-6fede743-3
0.402
MAT-POS-bb423b95-6
0.402
JIN-POS-6dc588a4-19
0.402
MAT-POS-4211dce8-1
0.398
RUB-POS-1325a9ea-17
0.398
EDJ-MED-50fe53e8-1
0.393
MAT-POS-3cc264b0-1
0.393
JAN-GHE-74b8b0cb-2
0.388
RUB-POS-1325a9ea-18
0.388
JIN-POS-6dc588a4-24
0.388
JAN-GHE-f4ca5a00-17
0.386
JIN-POS-6dc588a4-8
0.386
ALP-POS-3b848b35-3
0.386
BAR-COM-0f94fc3d-32
0.385
JIN-POS-6dc588a4-23
0.384
MAT-POS-3b92565d-11
0.382
VLA-UNK-dc1d9354-1
0.381
PET-UNK-158bee2a-4
0.377
JOH-UNI-6fede743-4
0.376
EDJ-MED-97c1bf5c-1
0.374
MAT-POS-0c8fa4a7-3
0.373
JOH-UNI-6fede743-1
0.372
MAT-POS-3b92565d-10
0.371
NAU-LAT-a5c7d7cb-10
0.369
EDJ-MED-c8e7a002-11
0.369
BEN-DND-02317c5c-8
0.369
ADA-UCB-6c2cb422-1
0.369
NAU-LAT-a5c7d7cb-12
0.369
PET-UNK-e44ffd04-1
0.369
JOH-UNI-6fede743-2
0.368
MAT-POS-3b92565d-13
0.368
JAG-UCB-a3ef7265-17
0.367
VLA-UNK-411a133b-1
0.367
NAU-LAT-e1818702-7
0.367
PET-UNK-8df914d1-4
0.367
PET-UNK-8df914d1-2
0.365
EDJ-MED-50fe53e8-3
0.365
NAU-LAT-e1818702-10
0.364
ALP-POS-8b8a49e1-7
0.364
JOH-UNI-ee5ed7c8-8
0.364
JAN-GHE-5a013bed-7
0.364
JOH-UNI-3fc3434e-8
0.364
JOH-UNI-ee5ed7c8-11
0.363
JOH-UNI-3fc3434e-11
0.363
EDJ-MED-49816e9b-3
0.362
JIN-POS-6dc588a4-17
0.360
ROB-UNI-daaf9793-1
0.360
NAU-LAT-e1818702-9
0.360
JIN-POS-6dc588a4-6
0.360
MAT-POS-e1b5ac6b-1
0.360
EDJ-MED-50fe53e8-4
0.360
BEN-DND-02317c5c-9
0.360
JAN-GHE-5a013bed-8
0.359
JAN-GHE-5a013bed-11
0.359
MIC-UNK-66895286-1
0.359
EDJ-MED-6e43a462-4
0.356
VLA-UNK-411a133b-2
0.354
MAR-TRE-fd17a9b8-41
0.354
MAT-POS-f7918075-3
0.352
RUB-POS-1325a9ea-8
0.352
MIC-UNK-08cd9c58-1
0.352
MAT-POS-bb423b95-7
0.352
EDJ-MED-6e43a462-10
0.352
JAN-GHE-5a013bed-6
0.351
JAN-GHE-5a013bed-9
0.351
PET-UNK-158bee2a-2
0.351
NAM-UNK-f7c77a48-3
0.351
JAG-UCB-a3ef7265-15
0.350
EDJ-MED-49816e9b-2
0.350
EDG-MED-0da5ad92-13
0.350
PET-UNK-158bee2a-3
0.350
MAT-POS-3b92565d-12
0.350
MAT-POS-c478e61b-1
0.350
RUB-POS-1325a9ea-22
0.349
JIN-POS-6dc588a4-2
0.349