Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)n1nccc1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 499.18 |
| Fraction sp3: | 0.29 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 3 |
| TPSA: | 71.33 |
| cLogP: | 5.0 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.267639768802499 |
| Order Status | |
| Ordered: | 2021-12-08 |
| Synthesis Location: | enamine |
| Shipped: | 2021-12-29 |
EDJ-MED-cc48ee33-3
0.784
MAT-POS-be048f2c-5
0.741
MAT-POS-be048f2c-7
0.741
MAT-POS-be048f2c-8
0.734
EDJ-MED-cc48ee33-5
0.729
EDJ-MED-cc48ee33-4
0.726
LUO-POS-868e8996-11
0.609
MAT-POS-c7726e07-5
0.609
LUO-POS-868e8996-12
0.609
MAT-POS-c7726e07-6
0.609
EDJ-MED-8bb691af-4
0.609
MAT-POS-69786b79-1
0.607
LUO-POS-e1dab717-1
0.607
MAT-POS-566864e2-4
0.607
ALP-POS-ecbed2ba-7
0.607
MAT-POS-576f7758-1
0.607
MAT-POS-566864e2-3
0.607
LUO-POS-e1dab717-19
0.606
EDJ-MED-7587a9ee-3
0.602
EDJ-MED-3707c4bc-1
0.602
EDJ-MED-6b23330e-1
0.600
MAT-POS-69786b79-3
0.596
ALP-POS-c3a90b22-2
0.596
ALP-POS-c3a90b22-4
0.595
ALP-POS-c3a90b22-10
0.593
MAT-POS-e75f6e44-9
0.588
MAT-POS-e75f6e44-8
0.588
ALP-POS-c3a90b22-6
0.588
LUO-POS-ed2cfb03-2
0.586
EDJ-MED-6b23330e-4
0.581
MAT-POS-e75f6e44-7
0.581
EDJ-MED-40e596c8-1
0.579
PET-UNK-94036022-9
0.578
PET-UNK-94036022-2
0.578
MIK-ENA-1494235a-1
0.578
MIK-ENA-4ed700b1-1
0.578
ALP-POS-ecbed2ba-14
0.578
MIK-ENA-4a1c9a78-1
0.578
ALP-POS-ecbed2ba-20
0.577
ALP-POS-ecbed2ba-1
0.576
ALP-POS-ecbed2ba-3
0.574
EDJ-MED-3707c4bc-2
0.574
EDJ-MED-6b23330e-2
0.573
EDJ-MED-6b23330e-7
0.573
EDJ-MED-6b23330e-5
0.573
MAT-POS-e75f6e44-4
0.573
VLA-UNK-3bd6fc51-1
0.571
LUO-POS-ed2cfb03-1
0.565
MAT-POS-69786b79-2
0.564
ALP-POS-ecbed2ba-12
0.564
MAT-POS-e75f6e44-1
0.564
BRU-THA-ae0174a8-1
0.564
MAT-POS-566864e2-2
0.564
MAT-POS-566864e2-1
0.564
MAT-POS-e75f6e44-5
0.564
EDJ-MED-6b23330e-6
0.563
MAT-POS-e75f6e44-6
0.563
MAT-POS-e75f6e44-19
0.563
ALP-POS-ecbed2ba-18
0.560
PET-UNK-94036022-10
0.560
PET-UNK-94036022-3
0.560
ALP-POS-ecbed2ba-19
0.559
MIK-ENA-5d9157e9-2
0.559
MIK-ENA-5d9157e9-1
0.559
MAT-POS-e75f6e44-2
0.559
MAT-POS-e75f6e44-3
0.559
EDJ-MED-accc2c4d-2
0.559
ALP-POS-c3a90b22-7
0.559
ALP-POS-ecbed2ba-4
0.559
EDJ-MED-8bb691af-6
0.559
EDJ-MED-40e596c8-3
0.558
EDJ-MED-33064c06-16
0.558
MAT-POS-e75f6e44-10
0.558
MAT-POS-e75f6e44-14
0.558
MAT-POS-e75f6e44-11
0.558
MAT-POS-e75f6e44-17
0.555
ALP-POS-ecbed2ba-6
0.555
EDJ-MED-5cd3920d-5
0.555
EDJ-MED-59d5ca70-2
0.554
ALP-POS-ecbed2ba-10
0.551
EDJ-MED-4138fde9-8
0.551
MAT-POS-69786b79-4
0.550
MAT-POS-e75f6e44-13
0.550
ALP-POS-ecbed2ba-13
0.550
MAT-POS-e75f6e44-12
0.550
MAT-POS-e75f6e44-15
0.550
MAT-POS-e75f6e44-16
0.549
MAT-POS-e75f6e44-21
0.549
EDJ-MED-accc2c4d-3
0.547
EDJ-MED-accc2c4d-4
0.547
ALP-POS-ecbed2ba-21
0.545
EDJ-MED-6b23330e-3
0.545
ALP-POS-ecbed2ba-17
0.542
EDJ-MED-5cd3920d-6
0.542
VLA-UNK-61877630-10
0.542
EDJ-MED-40e596c8-2
0.542
MAT-POS-e75f6e44-18
0.541
MAT-POS-e75f6e44-20
0.541
EDJ-MED-accc2c4d-1
0.538
EDJ-MED-4138fde9-9
0.537