Molecule Details
| Molecular Properties | |
| SMILES: | CC1(NC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 474.18 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 4.05 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.270577633742706 |
| Order Status | |
| Ordered: | 2021-11-12 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
EDJ-MED-8bb691af-4
0.839
LUO-POS-868e8996-11
0.839
MAT-POS-c7726e07-5
0.839
LUO-POS-868e8996-12
0.839
MAT-POS-c7726e07-6
0.839
MAT-POS-e75f6e44-3
0.816
MAT-POS-69786b79-4
0.800
EDJ-MED-6b23330e-1
0.798
EDJ-MED-6b23330e-5
0.798
MAT-POS-e75f6e44-4
0.798
LUO-POS-e1dab717-19
0.798
ALP-POS-ecbed2ba-14
0.788
MAT-POS-e75f6e44-6
0.782
MAT-POS-e75f6e44-19
0.782
EDJ-MED-6b23330e-2
0.780
EDJ-MED-6b23330e-7
0.780
EDJ-MED-6b23330e-4
0.772
MAT-POS-e75f6e44-7
0.772
MIK-ENA-4a1c9a78-1
0.770
MAT-POS-566864e2-1
0.770
ALP-POS-ecbed2ba-12
0.770
MIK-ENA-1494235a-1
0.770
MIK-ENA-4ed700b1-1
0.770
BRU-THA-ae0174a8-1
0.770
MAT-POS-69786b79-2
0.770
MAT-POS-566864e2-2
0.770
MAT-POS-e75f6e44-1
0.770
MAT-POS-e75f6e44-5
0.770
EDJ-MED-6b23330e-6
0.765
MAT-POS-e75f6e44-2
0.762
MAT-POS-e75f6e44-8
0.760
MAT-POS-e75f6e44-9
0.760
EDJ-MED-33064c06-16
0.757
MAT-POS-e75f6e44-10
0.757
MAT-POS-e75f6e44-17
0.755
MAT-POS-e75f6e44-20
0.750
MAT-POS-e75f6e44-12
0.748
MAT-POS-e75f6e44-13
0.748
MAT-POS-e75f6e44-15
0.748
MAT-POS-e75f6e44-16
0.743
MAT-POS-e75f6e44-21
0.743
MAT-POS-e75f6e44-11
0.740
MAT-POS-e75f6e44-14
0.740
EDJ-MED-6b23330e-3
0.736
MAT-POS-e75f6e44-18
0.733
ALP-POS-c3a90b22-6
0.716
ALP-POS-133e7cd9-1
0.713
MIK-ENA-9eb8d9fb-1
0.704
EDJ-MED-40e596c8-1
0.689
VLA-UNK-3bd6fc51-1
0.683
MAT-POS-ddfe83c6-6
0.680
EDJ-MED-40e596c8-3
0.661
MAT-POS-38eb6498-5
0.657
MAT-POS-b4d6b7fc-5
0.654
MIK-ENA-4bb8c98f-1
0.654
LUO-POS-b4dec3be-1
0.654
MIK-ENA-610c7cf9-1
0.654
LUO-POS-b4dec3be-2
0.654
VLA-UNK-5d8210f0-2
0.645
EDJ-MED-b6c6ee2b-2
0.642
EDJ-MED-40e596c8-2
0.642
ALP-POS-ecbed2ba-7
0.642
MAT-POS-566864e2-4
0.642
MAT-POS-69786b79-1
0.642
LUO-POS-e1dab717-1
0.642
MAT-POS-576f7758-1
0.642
MAT-POS-566864e2-3
0.642
ALP-POS-afe0272e-1
0.638
EDJ-MED-7587a9ee-3
0.637
LUO-POS-ed2cfb03-2
0.635
MAT-POS-96396902-1
0.633
PET-UNK-7e9559de-1
0.633
PET-UNK-7e9559de-4
0.633
ALP-POS-c3a90b22-7
0.633
ALP-POS-c3a90b22-2
0.630
MIK-ENA-f73d8b60-1
0.627
ALP-POS-ecbed2ba-20
0.625
ALP-POS-ecbed2ba-3
0.620
ALP-POS-ecbed2ba-18
0.620
EDJ-MED-3707c4bc-1
0.620
EDJ-MED-3707c4bc-2
0.620
MAT-POS-b4d6b7fc-7
0.619
EDJ-MED-4cb9dd84-3
0.618
EDJ-MED-cc48ee33-3
0.615
ALP-POS-c3a90b22-4
0.613
LUO-POS-ed2cfb03-1
0.611
EDJ-MED-b6c6ee2b-1
0.610
MAT-POS-38eb6498-3
0.610
EDJ-MED-cc48ee33-4
0.609
VLA-UNK-5d8210f0-1
0.606
ALP-POS-ecbed2ba-19
0.604
PET-UNK-df7eb4e6-5
0.600
MAT-POS-1d5ab790-2
0.600
PET-UNK-df7eb4e6-1
0.600
MAT-POS-b4d6b7fc-6
0.600
PET-UNK-eeb64427-1
0.600
PET-UNK-eeb64427-4
0.600
EDJ-MED-cc48ee33-5
0.598
EDJ-MED-59d5ca70-2
0.596
MAT-POS-be048f2c-5
0.596