Molecule Details
| Molecular Properties | |
| SMILES: | CCn1nccc1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 485.16 |
| Fraction sp3: | 0.26 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 3 |
| TPSA: | 71.33 |
| cLogP: | 4.44 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.297012069374338 |
| Order Status | |
| Ordered: | 2021-12-08 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
MAT-POS-be048f2c-8
0.871
EDJ-MED-cc48ee33-3
0.784
MAT-POS-be048f2c-6
0.741
MAT-POS-be048f2c-7
0.741
EDJ-MED-cc48ee33-4
0.726
EDJ-MED-cc48ee33-5
0.713
EDJ-MED-8bb691af-4
0.624
LUO-POS-868e8996-11
0.624
MAT-POS-c7726e07-5
0.624
MAT-POS-c7726e07-6
0.624
LUO-POS-868e8996-12
0.624
LUO-POS-e1dab717-19
0.620
EDJ-MED-40e596c8-1
0.607
ALP-POS-ecbed2ba-1
0.603
EDJ-MED-7587a9ee-3
0.602
ALP-POS-c3a90b22-6
0.602
MAT-POS-69786b79-3
0.596
MAT-POS-e75f6e44-7
0.595
MAT-POS-566864e2-4
0.593
ALP-POS-ecbed2ba-7
0.593
MAT-POS-576f7758-1
0.593
MAT-POS-69786b79-1
0.593
LUO-POS-e1dab717-1
0.593
MAT-POS-566864e2-3
0.593
MIK-ENA-1494235a-1
0.591
MIK-ENA-4ed700b1-1
0.591
ALP-POS-ecbed2ba-14
0.591
MIK-ENA-4a1c9a78-1
0.591
ALP-POS-ecbed2ba-3
0.588
ALP-POS-ecbed2ba-18
0.588
EDJ-MED-6b23330e-1
0.586
EDJ-MED-6b23330e-2
0.586
EDJ-MED-6b23330e-5
0.586
MAT-POS-e75f6e44-4
0.586
EDJ-MED-6b23330e-7
0.586
LUO-POS-ed2cfb03-2
0.586
VLA-UNK-3bd6fc51-1
0.586
ALP-POS-c3a90b22-2
0.583
EDJ-MED-6b23330e-4
0.581
ALP-POS-c3a90b22-4
0.581
ALP-POS-c3a90b22-10
0.580
PET-UNK-94036022-2
0.578
MAT-POS-e75f6e44-5
0.578
BRU-THA-ae0174a8-1
0.578
MAT-POS-566864e2-2
0.578
ALP-POS-ecbed2ba-12
0.578
MAT-POS-69786b79-2
0.578
PET-UNK-94036022-9
0.578
MAT-POS-566864e2-1
0.578
MAT-POS-e75f6e44-1
0.578
ALP-POS-ecbed2ba-20
0.577
EDJ-MED-6b23330e-6
0.576
MAT-POS-e75f6e44-6
0.576
MAT-POS-e75f6e44-19
0.576
PET-UNK-94036022-10
0.574
EDJ-MED-3707c4bc-1
0.574
PET-UNK-94036022-3
0.574
EDJ-MED-3707c4bc-2
0.574
ALP-POS-ecbed2ba-19
0.573
MAT-POS-e75f6e44-2
0.573
MAT-POS-e75f6e44-3
0.573
EDJ-MED-40e596c8-3
0.571
EDJ-MED-33064c06-16
0.571
MAT-POS-e75f6e44-10
0.571
MAT-POS-e75f6e44-14
0.571
ALP-POS-ecbed2ba-6
0.568
EDJ-MED-5cd3920d-6
0.568
VLA-UNK-61877630-10
0.568
MAT-POS-e75f6e44-17
0.568
ALP-POS-ecbed2ba-15
0.567
MAT-POS-e75f6e44-20
0.567
LUO-POS-ed2cfb03-1
0.565
EDJ-MED-4138fde9-8
0.564
MAT-POS-e75f6e44-13
0.563
MAT-POS-e75f6e44-15
0.563
MAT-POS-69786b79-4
0.563
MAT-POS-e75f6e44-12
0.563
MAT-POS-e75f6e44-9
0.562
MAT-POS-e75f6e44-8
0.562
MAT-POS-e75f6e44-16
0.562
EDJ-MED-accc2c4d-3
0.560
ALP-POS-ecbed2ba-4
0.559
EDJ-MED-8bb691af-6
0.559
MIK-ENA-5d9157e9-1
0.559
MIK-ENA-5d9157e9-2
0.559
EDJ-MED-accc2c4d-2
0.559
ALP-POS-c3a90b22-7
0.559
MAT-POS-e75f6e44-11
0.558
EDJ-MED-6b23330e-3
0.557
EDJ-MED-5cd3920d-5
0.555
ALP-POS-ecbed2ba-5
0.555
ALP-POS-ecbed2ba-17
0.555
EDJ-MED-40e596c8-2
0.555
EDJ-MED-59d5ca70-2
0.554
MAT-POS-e75f6e44-18
0.554
ALP-POS-ecbed2ba-10
0.551
EDJ-MED-accc2c4d-1
0.551
ALP-POS-ecbed2ba-8
0.550
ALP-POS-ecbed2ba-13
0.550
EDJ-MED-4138fde9-9
0.550