Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CC(C)C(C)C |
| MW: | 220.16 |
| Fraction sp3: | 0.54 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.01 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1129289653 |
| Enamine Extended REAL: | s_22____3391102____3020648 |
| Mcule: | MCULE-6489243397 |
| MolPort: | MolPort-047-550-792 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.03 |
| Trypsin IC50 (µM): | 99.0 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-7
0.607
MAK-UNK-6ca90168-26
0.600
ASH-SAT-43770c7d-9
0.566
TRY-UNI-714a760b-5
0.544
AAR-POS-d2a4d1df-3
0.542
MAK-UNK-6435e6c2-8
0.542
ALE-HEI-f28a35b5-12
0.536
JAN-GHE-83b26c96-11
0.517
MAT-POS-590ac91e-2
0.509
MAT-POS-590ac91e-1
0.509
ERI-UCB-5b47150d-1
0.509
PET-SGC-6e7c5dc0-1
0.508
MAT-POS-590ac91e-6
0.508
ALE-HEI-f28a35b5-10
0.508
MAT-POS-590ac91e-10
0.508
MAT-POS-590ac91e-15
0.500
JOH-UNI-abfda500-6
0.500
MAT-POS-590ac91e-9
0.500
ANN-UNI-98d2bf15-1
0.500
BEN-DND-93268d01-7
0.492
JAN-GHE-83b26c96-13
0.492
MIH-UNI-6b9ca91a-1
0.492
BEN-DND-93268d01-9
0.492
ALE-HEI-f28a35b5-6
0.492
TRY-UNI-714a760b-10
0.492
BEN-DND-93268d01-11
0.492
MAT-POS-590ac91e-23
0.492
ALE-HEI-f28a35b5-3
0.492
EDG-MED-0da5ad92-4
0.492
GAB-REV-70cc3ca5-21
0.492
BEN-DND-09b88bf4-5
0.492
MAK-UNK-6ca90168-27
0.491
WIL-WAB-6ef46ddb-1
0.486
PET-SGC-d5b502b1-1
0.486
BEN-DND-93268d01-4
0.484
MAT-POS-590ac91e-24
0.484
BEN-DND-93268d01-10
0.484
EDJ-MED-c9f55a56-1
0.484
MAT-POS-590ac91e-13
0.483
TRY-UNI-2eddb1ff-2
0.476
MAT-POS-590ac91e-17
0.476
EDJ-MED-3c65e9ce-1
0.476
EDG-MED-0da5ad92-8
0.476
BEN-DND-93268d01-8
0.476
MAT-POS-590ac91e-5
0.475
AHN-SAT-202241f6-1
0.475
TRY-UNI-714a760b-17
0.475
MAT-POS-590ac91e-16
0.475
MAT-POS-5d20d11c-1
0.475
MAK-UNK-f203cb68-3
0.472
BEN-DND-93268d01-13
0.469
GAB-REV-70cc3ca5-20
0.469
TRY-UNI-714a760b-6
0.469
ALP-POS-95b75b4d-2
0.469
EDJ-MED-e58735b6-2
0.469
EDJ-MED-3c65e9ce-4
0.469
BEN-DND-93268d01-5
0.469
DAR-DIA-0cde14eb-61
0.464
ALP-POS-95b75b4d-1
0.462
JAN-GHE-83b26c96-12
0.462
BEN-DND-22e6b372-4
0.462
MAK-UNK-372b0df5-3
0.462
ALP-POS-90c18d1d-1
0.459
ALE-HEI-f28a35b5-13
0.458
THO-SYG-cc9e9a11-1
0.457
BEN-DND-6de5dfa0-3
0.455
NAU-LAT-3f5f3993-5
0.455
BEN-DND-6de5dfa0-5
0.455
GAB-REV-70cc3ca5-13
0.455
EDG-MED-0da5ad92-9
0.455
BEN-DND-09b88bf4-3
0.455
BAR-COM-0f94fc3d-41
0.451
BEN-DND-09b88bf4-8
0.449
BEN-DND-6de5dfa0-15
0.449
BEN-DND-09b88bf4-2
0.448
MAT-POS-590ac91e-25
0.448
BEN-DND-03406596-7
0.448
BEN-DND-6de5dfa0-4
0.448
BEN-DND-09b88bf4-4
0.448
BEN-DND-22e6b372-3
0.448
EDJ-MED-e58735b6-1
0.448
NIR-THE-b7e8e081-1
0.448
BEN-DND-6de5dfa0-1
0.448
BEN-DND-93268d01-14
0.446
WIL-MOD-03b86a88-3
0.444
DAR-DIA-0cde14eb-64
0.443
PET-SGC-2e937068-1
0.443
ALE-HEI-f28a35b5-17
0.443
SCO-VAN-260d9628-1
0.443
NIR-THE-b7e8e081-2
0.441
JAN-GHE-83b26c96-14
0.441
TRY-UNI-2eddb1ff-1
0.441
ALP-POS-95b75b4d-3
0.441
DAR-DIA-0cde14eb-76
0.441
ALP-POS-f13221e1-4
0.441
BEN-DND-6de5dfa0-7
0.441
BEN-DND-6de5dfa0-16
0.441
BEN-DND-09b88bf4-6
0.441
ANN-UNI-98d2bf15-2
0.441
ERI-UCB-5b47150d-4
0.441