Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nnn[nH]1 |
MW: | 237.04 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.56 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z1097410173 |
Enamine REAL: | Z1097410173 |
Enamine Extended REAL: | s_22____5062794____3020518 |
Mcule: | MCULE-3216247488 |
Mcule Ultimate: | HFAVJGNWJPFAGR-UHFFFAOYSA-N |
Activity Data | |
IC50 (µM) - Fluorescence: | 45.2867094312225 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
ALE-HEI-f28a35b5-9
PET-UNK-158bee2a-2
0.508
JAN-GHE-5a013bed-9
0.508
VLA-UNK-411a133b-2
0.508
EDG-MED-0da5ad92-21
0.500
VLA-UNK-411a133b-1
0.500
NAU-LAT-e1818702-10
0.500
JAN-GHE-5a013bed-7
0.500
EDG-MED-0da5ad92-2
0.492
JAN-GHE-5a013bed-8
0.492
MIC-UNK-66895286-1
0.492
EDG-MED-0da5ad92-15
0.485
JAN-GHE-5a013bed-10
0.484
JAN-GHE-5a013bed-6
0.484
EDJ-MED-c8e7a002-14
0.479
SAM-UNK-2684b532-12
0.478
JIN-POS-6dc588a4-4
0.478
EDG-MED-0da5ad92-16
0.477
JAG-UCB-a3ef7265-15
0.477
NAU-LAT-e1818702-7
0.477
JAG-UCB-a3ef7265-17
0.477
EDJ-MED-49816e9b-2
0.477
ALP-POS-95b75b4d-8
0.477
SAM-UNK-2684b532-13
0.477
MAT-POS-199e2e7c-2
0.472
JOH-UNI-abfda500-5
0.471
AGN-NEW-c7b24fe3-5
0.471
ANN-UNI-98d2bf15-3
0.471
EDG-MED-0da5ad92-14
0.470
EDJ-MED-49816e9b-5
0.470
ALP-POS-95b75b4d-6
0.470
PET-UNK-158bee2a-4
0.469
TRY-UNI-714a760b-6
0.463
RUB-POS-1325a9ea-13
0.458
EDJ-MED-c8e7a002-13
0.458
MAT-POS-f7918075-6
0.458
EDJ-MED-50fe53e8-2
0.458
MIC-UNK-d935700b-1
0.457
RUB-POS-1325a9ea-19
0.457
EDG-MED-0da5ad92-18
0.456
EDG-MED-0da5ad92-13
0.455
PET-UNK-158bee2a-3
0.455
PET-UNK-8df914d1-4
0.455
EDJ-MED-c8e7a002-16
0.452
EDJ-MED-c8e7a002-10
0.452
NAU-LAT-a5c7d7cb-12
0.451
MAT-POS-bb423b95-6
0.451
EDJ-MED-c8e7a002-11
0.451
BEN-DND-02317c5c-8
0.451
PET-UNK-e44ffd04-1
0.451
JOH-UNI-6fede743-3
0.451
JIN-POS-6dc588a4-19
0.451
VLA-UCB-00f2c2b3-7
0.451
NAU-LAT-a5c7d7cb-10
0.451
JOH-UNI-abfda500-4
0.449
PET-UNK-158bee2a-1
0.449
VLA-UNK-4cf5aa07-1
0.449
AGN-NEW-c7b24fe3-4
0.449
EDG-MED-0da5ad92-12
0.448
EDJ-MED-49816e9b-3
0.448
EDJ-MED-c8e7a002-2
0.446
EDJ-MED-c8e7a002-15
0.446
JIN-POS-6dc588a4-2
0.444
EDJ-MED-c8e7a002-12
0.444
VLA-UNK-4cf5aa07-2
0.443
AGN-NEW-c7b24fe3-1
0.443
JAN-GHE-f4ca5a00-12
0.443
NAU-LAT-e1818702-1
0.443
MAK-UNK-6ca90168-23
0.443
PET-UNK-8df914d1-3
0.441
ALP-POS-90e38439-3
0.439
ALP-POS-8b8a49e1-5
0.439
MIC-UNK-42806bd5-2
0.439
RUB-POS-1325a9ea-12
0.438
JIN-POS-6dc588a4-3
0.437
MAT-POS-bb423b95-5
0.437
SAM-UNK-2684b532-11
0.437
JAN-GHE-5a013bed-5
0.435
ABI-SAT-4d06482b-2
0.435
EDJ-MED-c8e7a002-3
0.434
JAN-GHE-5a013bed-4
0.433
JIN-POS-6dc588a4-10
0.432
EDJ-MED-6e43a462-4
0.432
EDJ-MED-c8e7a002-9
0.432
EDJ-MED-6e43a462-5
0.432
EDJ-MED-6e43a462-6
0.432
EDJ-MED-c8e7a002-8
0.432
MAT-POS-f7918075-5
0.432
EDJ-MED-c8e7a002-17
0.432
MIC-UNK-d935700b-2
0.432
ALP-POS-95b75b4d-7
0.431
ALP-POS-3b848b35-3
0.431
RUB-POS-1325a9ea-22
0.429
TRY-UNI-714a760b-3
0.429
EDG-MED-0da5ad92-17
0.429
MAT-POS-f7918075-3
0.427
MIC-UNK-08cd9c58-1
0.427
MAT-POS-f7918075-8
0.427
MAT-POS-bb423b95-1
0.425
JIN-POS-6dc588a4-7
0.425
EDJ-MED-6e43a462-9
0.425