Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 |
MW: | 331.07 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 71.53 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1129286283 |
Enamine Extended REAL: | s_22____3391102____242262 |
MolPort: | MolPort-047-550-791 |
Activity Data | |
IC50 (µM) - Fluorescence: | 59.9331319543654 |
IC50 (µM) - RapidFire: | 38.9272880340427 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
AAR-POS-d2a4d1df-1
MAR-TRE-2fd8122f-9
0.631
KEI-TRE-d5e2018a-6
0.631
MAR-TRE-7f7bb9f0-84
0.631
BAR-COM-0f94fc3d-41
0.444
BEN-DND-22e6b372-4
0.435
BEN-DND-93268d01-10
0.434
BEN-DND-6de5dfa0-5
0.430
BEN-DND-22e6b372-3
0.425
TRY-UNI-714a760b-6
0.424
BEN-DND-93268d01-9
0.422
BEN-DND-09b88bf4-5
0.422
BEN-DND-93268d01-11
0.422
BEN-DND-22e6b372-2
0.416
BEN-DND-93268d01-8
0.412
EDJ-MED-3c65e9ce-1
0.412
BEN-DND-09b88bf4-4
0.409
BEN-DND-6de5dfa0-4
0.409
MAK-UNK-6ca90168-26
0.408
EDJ-MED-3c65e9ce-4
0.407
BEN-DND-22e6b372-1
0.407
MAT-POS-b3e365b9-3
0.406
JAN-GHE-f4ca5a00-13
0.406
MAT-POS-b3e365b9-4
0.406
DAR-DIA-6a508060-6
0.406
BRU-CON-c4e3408a-1
0.406
NIR-THE-b7e8e081-2
0.404
BEN-DND-6de5dfa0-16
0.404
EDG-MED-0da5ad92-7
0.400
BEN-DND-6de5dfa0-3
0.398
BEN-DND-09b88bf4-3
0.398
NAU-LAT-3f5f3993-5
0.398
MAT-POS-e501d84c-1
0.396
BAR-COM-0f94fc3d-28
0.396
BEN-DND-09b88bf4-8
0.396
BEN-DND-6de5dfa0-15
0.396
MAT-POS-c9973a83-1
0.396
TRY-UNI-2eddb1ff-2
0.395
EDG-MED-0da5ad92-8
0.395
ALE-HEI-f28a35b5-12
0.395
MAT-POS-590ac91e-11
0.395
RAL-THA-6b94ceba-14
0.394
BEN-DND-03406596-7
0.393
NIR-THE-b7e8e081-1
0.393
BEN-DND-6de5dfa0-1
0.393
BEN-DND-09b88bf4-2
0.393
MAR-TRE-4b834d9a-45
0.389
KEI-TRE-d5e2018a-37
0.389
MAR-TRE-2fd8122f-91
0.389
BEN-DND-6de5dfa0-7
0.389
BEN-DND-09b88bf4-6
0.389
ALP-POS-f13221e1-4
0.389
MAT-POS-590ac91e-23
0.388
RAL-THA-6b94ceba-13
0.387
JAN-GHE-83b26c96-12
0.386
WIL-MOD-03b86a88-2
0.385
BEN-DND-6de5dfa0-14
0.385
WIL-MOD-03b86a88-4
0.384
EDJ-MED-c9f55a56-1
0.384
RAL-THA-6b94ceba-5
0.383
RAL-THA-6b94ceba-15
0.383
BEN-DND-93268d01-12
0.381
BEN-DND-6de5dfa0-13
0.381
RAL-THA-6b94ceba-11
0.381
SAD-SAT-7d5528d9-1
0.381
RAL-THA-6b94ceba-6
0.380
BEN-DND-6de5dfa0-6
0.380
BEN-DND-09b88bf4-1
0.379
BAR-COM-0f94fc3d-18
0.379
RAL-THA-6b94ceba-12
0.379
RAL-THA-6b94ceba-16
0.379
WIL-MOD-03b86a88-5
0.379
BEN-DND-6de5dfa0-2
0.379
WIL-MOD-03b86a88-1
0.376
TRY-UNI-2eddb1ff-7
0.376
RAL-THA-6b94ceba-8
0.375
NAU-LAT-0543f7f2-7
0.375
ASH-SAT-43770c7d-9
0.375
WIL-MOD-03b86a88-6
0.375
NAU-LAT-0543f7f2-5
0.374
MAT-POS-044491d2-4
0.374
RAL-THA-6b94ceba-7
0.372
GAB-REV-70cc3ca5-21
0.372
EDG-MED-0da5ad92-3
0.371
EDG-MED-0da5ad92-19
0.371
ALP-POS-95b75b4d-1
0.371
SAD-SAT-7d5528d9-7
0.370
GAB-REV-70cc3ca5-22
0.370
CHO-MSK-6e55470f-1
0.369
MAT-POS-500ca5bf-1
0.369
RAL-THA-6b94ceba-4
0.369
BEN-DND-6de5dfa0-9
0.368
RAL-THA-6b94ceba-2
0.365
CHO-MSK-6e55470f-5
0.365
MAT-POS-590ac91e-6
0.365
WIL-MOD-03b86a88-3
0.365
BEN-DND-6de5dfa0-8
0.365
ANN-UNI-98d2bf15-1
0.364
JOH-UNI-abfda500-6
0.364
MAT-POS-590ac91e-15
0.364
NAT-WAB-78d8bb1c-1
0.363