Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc(Cl)c1 |
MW: | 260.724 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.22462 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1129289650 |
Enamine Extended REAL: | s_22____3391102____3020518 |
Mcule: | MCULE-6726698643 |
Mcule Ultimate: | ZROFBWFSOGSOQG-UHFFFAOYSA-N |
MolPort: | MolPort-047-314-768 |
Activity Data | |
IC50 (µM) - Fluorescence: | 24.5811942010513 |
IC50 (µM) - RapidFire: | 13.8951649217851 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-09 |
NAM-UNK-f7c77a48-4
NAM-UNK-f7c77a48-3
NAM-UNK-f7c77a48-2
NAM-UNK-f7c77a48-1
MAT-POS-c0143b99-1
MAT-POS-0d6fb2dd-1
MAT-POS-136e7878-2
MAT-POS-136e7878-1
MAT-POS-06036648-6
MAT-POS-06036648-9
MAT-POS-06036648-8
MAT-POS-06036648-7
MAT-POS-06036648-5
MAT-POS-06036648-4
MAT-POS-06036648-3
MAT-POS-06036648-2
MAT-POS-06036648-1
MAT-POS-e1b5ac6b-2
MAT-POS-e1b5ac6b-1
MAT-POS-3b92565d-1
MAT-POS-3b92565d-11
MAT-POS-3b92565d-8
MAT-POS-3b92565d-12
MAT-POS-3b92565d-3
MAT-POS-3b92565d-10
MAT-POS-3b92565d-5
MAT-POS-3b92565d-4
MAT-POS-3b92565d-14
MAT-POS-3b92565d-13
MAT-POS-3b92565d-2
MAT-POS-3b92565d-9
MAT-POS-3b92565d-7
MAT-POS-3b92565d-6
PET-UNK-8922bd3c-1
DAR-DIA-9e4459de-30
DAR-DIA-9e4459de-29
DAR-DIA-9e4459de-28
DAR-DIA-9e4459de-27
DAR-DIA-9e4459de-25
DAR-DIA-9e4459de-23
DAR-DIA-9e4459de-21
DAR-DIA-9e4459de-20
DAR-DIA-9e4459de-19
DAR-DIA-9e4459de-17
DAR-DIA-9e4459de-11
DAR-DIA-9e4459de-10
DAR-DIA-9e4459de-9
DAR-DIA-9e4459de-6
DAR-DIA-9e4459de-4
DAR-DIA-9e4459de-3
DAR-DIA-9e4459de-2
DAR-DIA-9e4459de-26
DAR-DIA-9e4459de-24
DAR-DIA-9e4459de-16
DAR-DIA-9e4459de-14
DAR-DIA-9e4459de-18
DAR-DIA-9e4459de-13
DAR-DIA-9e4459de-7
DAR-DIA-9e4459de-1
DAR-DIA-9e4459de-22
DAR-DIA-9e4459de-15
DAR-DIA-9e4459de-12
DAR-DIA-9e4459de-8
DAR-DIA-9e4459de-5
DAR-DIA-d6e5861b-9
DAR-DIA-d6e5861b-4
DAR-DIA-d6e5861b-8
DAR-DIA-d6e5861b-6
DAR-DIA-d6e5861b-7
DAR-DIA-d6e5861b-10
DAR-DIA-d6e5861b-3
DAR-DIA-d6e5861b-1
DAR-DIA-d6e5861b-5
DAR-DIA-d6e5861b-2
ALP-POS-f13221e1-4
0.710
EDG-MED-0da5ad92-6
0.700
EDJ-MED-e58735b6-2
0.700
JAN-GHE-83b26c96-13
0.700
ALP-POS-95b75b4d-2
0.700
ALP-POS-95b75b4d-1
0.689
JAN-GHE-83b26c96-12
0.689
SAM-UNK-2684b532-13
0.667
ALP-POS-95b75b4d-8
0.667
EDJ-MED-e58735b6-1
0.667
DAR-DIA-0cde14eb-79
0.662
ANN-UNI-98d2bf15-2
0.656
JAN-GHE-83b26c96-14
0.656
DAR-DIA-0cde14eb-76
0.656
ALP-POS-95b75b4d-3
0.656
ALP-POS-95b75b4d-6
0.656
EDG-MED-0da5ad92-8
0.656
TRY-UNI-2eddb1ff-2
0.656
TRY-UNI-714a760b-20
0.646
DAR-DIA-0cde14eb-2
0.642
EDG-MED-0da5ad92-16
0.639
EDJ-MED-e58735b6-3
0.636
DAR-DIA-0cde14eb-78
0.636
DAR-DIA-0cde14eb-3
0.632
JIN-POS-6dc588a4-3
0.631
RUB-POS-1325a9ea-19
0.631
MAT-POS-bb423b95-5
0.631
TRY-UNI-714a760b-5
0.627
ANN-UNI-98d2bf15-5
0.627
DAR-DIA-0cde14eb-1
0.627
ALP-POS-95b75b4d-4
0.627
ANN-UNI-98d2bf15-3
0.625
JOH-UNI-abfda500-4
0.625
JOH-UNI-abfda500-5
0.625
PET-UNK-8df914d1-3
0.619
MAK-UNK-6ca90168-23
0.615
ALP-POS-95b75b4d-5
0.612
MAT-POS-bb423b95-4
0.612
DAR-DIA-0cde14eb-4
0.609
DAR-DIA-0cde14eb-77
0.609
SAM-UNK-2684b532-11
0.606
JIN-POS-6dc588a4-4
0.606
SAM-UNK-2684b532-12
0.606
JIN-POS-6dc588a4-6
0.603
EDG-MED-0da5ad92-17
0.600
ALP-POS-95b75b4d-7
0.597
JAN-GHE-5a013bed-10
0.597
EDJ-MED-e58735b6-4
0.592
RAL-THA-6b94ceba-6
0.588
MAT-POS-c9973a83-1
0.588
ABI-SAT-4d06482b-2
0.585
DAR-DIA-0cde14eb-14
0.583
RIT-AID-a492ba81-1
0.582
MAT-POS-bb423b95-3
0.580
ALP-POS-0c2c77e1-1
0.580
RAL-THA-6b94ceba-14
0.577
TRY-UNI-714a760b-3
0.576
SAD-SAT-7d5528d9-1
0.575
JAN-GHE-83b26c96-11
0.574
RUB-POS-1325a9ea-5
0.571
RAL-THA-6b94ceba-7
0.571
RAL-THA-6b94ceba-13
0.571
MAK-UNK-6ca90168-26
0.571
BRU-LEF-c49414a7-1
0.568
RAL-THA-901e9a10-7
0.568
MAT-POS-bb423b95-1
0.565
RAL-THA-6b94ceba-15
0.563
RAL-THA-6b94ceba-5
0.563
EDG-MED-0da5ad92-21
0.562
RAL-THA-6b94ceba-16
0.556
WIL-MOD-03b86a88-3
0.556
WIL-MOD-03b86a88-5
0.556
RAL-THA-6b94ceba-12
0.556
EDG-MED-0da5ad92-14
0.554
MAK-UNK-f203cb68-4
0.551
MIC-UNK-50cce87d-3
0.549
RUB-POS-1325a9ea-3
0.549
MAT-POS-f7918075-5
0.549
NAU-LAT-0543f7f2-7
0.548
RAL-THA-6b94ceba-8
0.548
WIL-MOD-03b86a88-6
0.548
MIH-UNI-6b9ca91a-1
0.547
MAT-POS-bb423b95-9
0.543
NAU-LAT-0543f7f2-6
0.541
RAL-THA-6b94ceba-9
0.541
MAK-UNK-f203cb68-3
0.541
WIL-MOD-03b86a88-2
0.541
NAU-LAT-0543f7f2-5
0.539
EDJ-MED-49816e9b-2
0.538
EDG-MED-0da5ad92-18
0.537
EDG-MED-0da5ad92-5
0.536
JIN-POS-6dc588a4-22
0.535
GAB-REV-70cc3ca5-18
0.534
JIN-POS-6dc588a4-18
0.534
RAL-THA-6b94ceba-11
0.533
MAT-POS-e501d84c-1
0.533
JAN-GHE-5a013bed-8
0.531
EDG-MED-0da5ad92-2
0.531
JOH-UNI-abfda500-6
0.530
ANN-UNI-98d2bf15-1
0.530