Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 275.08 |
| Fraction sp3: | 0.14 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 68.01 |
| cLogP: | 2.81 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-567-654 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-08-19 |
aniline
AAR-POS-d2a4d1df-11
EDG-MED-0da5ad92-16
0.619
TRY-UNI-714a760b-6
0.600
TRY-UNI-714a760b-3
0.559
PET-UNK-8df914d1-3
0.552
EDG-MED-0da5ad92-21
0.545
ABI-SAT-4d06482b-2
0.544
EDG-MED-0da5ad92-14
0.537
EDG-MED-0da5ad92-18
0.522
JAN-GHE-5a013bed-10
0.507
MIC-UNK-d935700b-1
0.500
PET-UNK-158bee2a-3
0.500
JIN-POS-6dc588a4-3
0.500
ALP-POS-95b75b4d-8
0.500
SAM-UNK-2684b532-13
0.500
EDJ-MED-49816e9b-2
0.500
EDG-MED-0da5ad92-13
0.500
RUB-POS-1325a9ea-19
0.500
RUB-POS-1325a9ea-3
0.493
MIC-UNK-50cce87d-3
0.493
RUB-POS-1325a9ea-5
0.493
ANN-UNI-98d2bf15-3
0.493
JOH-UNI-abfda500-5
0.493
EDJ-MED-49816e9b-3
0.493
ALP-POS-95b75b4d-6
0.493
JIN-POS-6dc588a4-23
0.487
RUB-POS-1325a9ea-17
0.486
AGN-NEW-c7b24fe3-1
0.486
JIN-POS-6dc588a4-6
0.480
MAT-POS-bb423b95-5
0.479
MAT-POS-29385cc1-4
0.474
JIN-POS-6dc588a4-10
0.474
JOH-UNI-6fede743-1
0.474
JIN-POS-6dc588a4-24
0.474
MAT-POS-bb423b95-2
0.474
MAT-POS-199e2e7c-1
0.474
ALP-POS-95b75b4d-7
0.473
VLA-UCB-00f2c2b3-7
0.473
JOH-UNI-abfda500-4
0.472
AGN-NEW-c7b24fe3-4
0.472
AGN-NEW-c7b24fe3-5
0.472
EDG-MED-0da5ad92-12
0.471
EDJ-MED-49816e9b-5
0.471
JAN-GHE-5a013bed-8
0.471
EDJ-MED-b24713dc-1
0.468
MAT-POS-f7918075-3
0.468
MIC-UNK-08cd9c58-1
0.468
MAT-POS-f7918075-8
0.468
EDJ-MED-c8e7a002-12
0.467
MAK-UNK-6ca90168-23
0.466
EDG-MED-0da5ad92-15
0.465
JAN-GHE-5a013bed-6
0.463
JAN-GHE-5a013bed-9
0.463
MAT-POS-14ad9fe9-1
0.463
JIN-POS-6dc588a4-18
0.462
MAT-POS-c20a539d-6
0.462
RUB-POS-1325a9ea-4
0.462
EDJ-MED-b24713dc-4
0.462
MAT-POS-29385cc1-3
0.462
PET-UNK-e274cad4-6
0.461
MAT-POS-f7918075-6
0.461
EDJ-MED-50fe53e8-2
0.461
JIN-POS-6dc588a4-4
0.459
SAM-UNK-2684b532-11
0.459
SAM-UNK-2684b532-12
0.459
JAG-UCB-a3ef7265-15
0.457
PET-UNK-8df914d1-4
0.457
MIC-UNK-f2576da4-1
0.456
RUB-POS-1325a9ea-11
0.455
PET-UNK-b1ef24dc-3
0.455
ADA-UCB-6c2cb422-1
0.453
EDJ-MED-b24713dc-2
0.453
MAT-POS-8feb6e35-2
0.451
PET-UNK-158bee2a-4
0.449
EDG-MED-0da5ad92-2
0.449
MIC-UNK-66895286-1
0.449
RUB-POS-1325a9ea-8
0.449
RUB-POS-1325a9ea-15
0.449
EDJ-MED-a364e151-1
0.449
MIC-UNK-8971c93c-1
0.449
MAT-POS-f7918075-4
0.449
MIC-UNK-50cce87d-2
0.447
EDJ-MED-6ab52e52-1
0.447
JIN-POS-6dc588a4-9
0.447
MIC-UNK-51049f1a-6
0.447
ALP-POS-95b75b4d-5
0.447
MAT-POS-bb423b95-4
0.447
MAT-POS-bb423b95-9
0.447
MAT-POS-bb423b95-1
0.447
MAT-POS-8feb6e35-1
0.444
RUB-POS-1325a9ea-14
0.443
RUB-POS-1325a9ea-9
0.443
MIC-UNK-50cce87d-4
0.443
PET-UNK-e274cad4-1
0.443
VLA-UNK-411a133b-2
0.443
JIN-POS-6dc588a4-13
0.442
PET-UNK-b1ef24dc-1
0.442
PET-UNK-b1ef24dc-2
0.442
PET-UNK-7f7e354d-7
0.442
BEN-DND-1e24cf73-3
0.442
EDJ-MED-a364e151-3
0.442