Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1ccccc1N |
| MW: | 241.12 |
| Fraction sp3: | 0.14 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 68.01 |
| cLogP: | 2.15 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-014-403-663 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Shipped: | 2021-01-28 |
aniline
aniline
analine
ANN-UNI-98d2bf15-1
1.000
TRY-UNI-714a760b-5
0.583
THO-SYG-cc9e9a11-1
0.580
BEN-DND-93268d01-7
0.552
THO-SYG-cc9e9a11-2
0.549
JAN-GHE-83b26c96-11
0.532
ALE-HEI-f28a35b5-3
0.531
EDJ-MED-e58735b6-2
0.530
TRY-UNI-714a760b-6
0.530
ALP-POS-95b75b4d-2
0.530
MAK-UNK-6ca90168-26
0.526
ASH-SAT-43770c7d-9
0.525
SAM-UNK-2684b532-9
0.513
MIH-UNI-6b9ca91a-1
0.508
JAN-GHE-83b26c96-13
0.507
GAB-REV-70cc3ca5-20
0.507
MAT-POS-590ac91e-11
0.500
EDJ-MED-c9f55a56-1
0.500
ALE-HEI-f28a35b5-12
0.500
ALP-POS-95b75b4d-4
0.500
ALP-POS-95b75b4d-1
0.500
JAN-GHE-83b26c96-12
0.500
PET-SGC-6e7c5dc0-1
0.500
ANN-UNI-98d2bf15-2
0.500
GAB-REV-70cc3ca5-9
0.493
TRY-UNI-714a760b-20
0.493
EDG-MED-0da5ad92-8
0.493
TRY-UNI-2eddb1ff-2
0.493
EDG-MED-0da5ad92-7
0.487
ADA-UCB-6c2cb422-4
0.487
EDJ-MED-e58735b6-3
0.486
EDJ-MED-e58735b6-1
0.486
MAT-POS-590ac91e-23
0.485
DAR-DIA-0cde14eb-64
0.479
JAN-GHE-83b26c96-14
0.479
DAR-DIA-0cde14eb-76
0.479
ALP-POS-95b75b4d-3
0.479
BEN-DND-93268d01-4
0.478
ALE-HEI-f28a35b5-10
0.478
MAT-POS-590ac91e-6
0.477
AAR-POS-d2a4d1df-3
0.473
MAK-UNK-6435e6c2-8
0.473
GAB-REV-70cc3ca5-13
0.471
MAT-POS-590ac91e-15
0.471
MAT-POS-590ac91e-7
0.470
ALE-HEI-f28a35b5-1
0.469
TRY-UNI-714a760b-4
0.469
DAR-DIA-0cde14eb-79
0.466
DAR-DIA-0cde14eb-78
0.466
RAL-THA-6b94ceba-6
0.466
BEN-DND-93268d01-13
0.464
THO-SYG-cc9e9a11-3
0.463
PET-SGC-175e168c-1
0.461
TRY-UNI-1fd04853-1
0.461
ANN-UNI-98d2bf15-5
0.459
DAR-DIA-0cde14eb-1
0.459
PET-SGC-2e937068-1
0.459
TRY-UNI-2eddb1ff-1
0.458
MAK-UNK-372b0df5-3
0.457
MAT-POS-590ac91e-24
0.456
MAT-POS-590ac91e-10
0.456
PET-SGC-83d43576-1
0.455
NAU-LAT-0543f7f2-7
0.455
RAL-THA-6b94ceba-13
0.453
DAR-DIA-0cde14eb-2
0.453
THO-SYG-cc9e9a11-4
0.451
EDJ-MED-3c65e9ce-1
0.449
MAT-POS-590ac91e-17
0.449
BEN-DND-93268d01-8
0.449
NAU-LAT-30527ac5-2
0.449
MAT-POS-590ac91e-9
0.448
RAL-THA-6b94ceba-15
0.447
DAR-DIA-0cde14eb-3
0.447
DAR-DIA-0cde14eb-4
0.447
DAR-DIA-0cde14eb-77
0.447
GAB-REV-70cc3ca5-23
0.447
RAL-THA-6b94ceba-5
0.447
MAT-POS-c9973a83-1
0.446
MAK-UNK-f203cb68-4
0.446
SAD-SAT-7d5528d9-1
0.443
BEN-DND-93268d01-5
0.443
RAL-THA-6b94ceba-12
0.442
GAB-REV-70cc3ca5-11
0.442
GAB-REV-70cc3ca5-15
0.442
WIL-MOD-03b86a88-3
0.442
BEN-DND-93268d01-9
0.441
BEN-DND-09b88bf4-5
0.441
BEN-DND-93268d01-11
0.441
GAB-REV-70cc3ca5-21
0.441
TRY-UNI-714a760b-10
0.441
EDG-MED-0da5ad92-4
0.441
ALE-HEI-f28a35b5-6
0.441
DAR-DIA-0cde14eb-61
0.440
SIM-DEM-f31d0e65-1
0.440
NAU-LAT-0543f7f2-8
0.439
NIR-THE-b7e8e081-2
0.438
ALP-POS-f13221e1-4
0.438
BEN-DND-6de5dfa0-16
0.438
RAL-THA-6b94ceba-8
0.436
EDJ-MED-e58735b6-4
0.436