Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 434.15 |
| Fraction sp3: | 0.29 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.11519014554776 |
| Order Status | |
| Shipped: | 2021-09-29 |
![O=C1C[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12](/static/images/loading.7a8cbb7079d7.gif)
VLA-UCB-50c39ae8-2
EDG-MED-b1ef7fe3-2
EDG-MED-b1ef7fe3-4
EDG-MED-b1ef7fe3-3
EDG-MED-b1ef7fe3-1
PET-UNK-7e9559de-4
PET-UNK-7e9559de-3
PET-UNK-7e9559de-1
PET-UNK-7e9559de-6
PET-UNK-7e9559de-2
PET-UNK-7e9559de-5
EDJ-MED-b6c6ee2b-7
EDJ-MED-b6c6ee2b-3
EDJ-MED-b6c6ee2b-2
EDJ-MED-b6c6ee2b-1
EDJ-MED-b6c6ee2b-4
EDJ-MED-b6c6ee2b-6
EDJ-MED-b6c6ee2b-5
PET-UNK-df7eb4e6-6
PET-UNK-df7eb4e6-3
PET-UNK-df7eb4e6-2
PET-UNK-df7eb4e6-1
PET-UNK-df7eb4e6-8
PET-UNK-df7eb4e6-7
PET-UNK-df7eb4e6-4
PET-UNK-df7eb4e6-5
MAT-POS-c7726e07-5
1.000
EDJ-MED-8bb691af-4
1.000
MAT-POS-c7726e07-6
1.000
LUO-POS-868e8996-12
1.000
MIK-ENA-1494235a-1
0.849
MIK-ENA-4ed700b1-1
0.849
MIK-ENA-4a1c9a78-1
0.849
ALP-POS-133e7cd9-1
0.846
LUO-POS-e1dab717-19
0.843
MAT-POS-69786b79-3
0.839
ALP-POS-ecbed2ba-14
0.830
MAT-POS-e75f6e44-6
0.823
EDJ-MED-6b23330e-1
0.821
EDJ-MED-6b23330e-5
0.821
MAT-POS-e75f6e44-4
0.821
EDJ-MED-6b23330e-7
0.821
EDJ-MED-6b23330e-2
0.821
EDJ-MED-6b23330e-4
0.812
MAT-POS-e75f6e44-7
0.812
BRU-THA-ae0174a8-1
0.811
ALP-POS-ecbed2ba-12
0.811
MAT-POS-69786b79-2
0.811
MAT-POS-566864e2-1
0.811
MAT-POS-566864e2-2
0.811
MAT-POS-e75f6e44-1
0.811
MAT-POS-e75f6e44-5
0.811
MAT-POS-ddfe83c6-6
0.806
EDJ-MED-6b23330e-6
0.804
MAT-POS-e75f6e44-19
0.804
MAT-POS-e75f6e44-2
0.802
MAT-POS-e75f6e44-3
0.802
MAT-POS-e75f6e44-10
0.796
EDJ-MED-33064c06-16
0.796
MAT-POS-e75f6e44-17
0.794
ALP-POS-c3a90b22-6
0.789
MAT-POS-69786b79-4
0.786
MAT-POS-e75f6e44-12
0.786
MAT-POS-e75f6e44-13
0.786
MAT-POS-e75f6e44-15
0.786
MAT-POS-e75f6e44-8
0.780
MAT-POS-e75f6e44-9
0.780
MAT-POS-e75f6e44-16
0.780
MAT-POS-e75f6e44-11
0.778
MAT-POS-e75f6e44-14
0.778
MAT-POS-38eb6498-5
0.776
LUO-POS-b4dec3be-2
0.773
MIK-ENA-4bb8c98f-1
0.773
LUO-POS-b4dec3be-1
0.773
MIK-ENA-610c7cf9-1
0.773
MAT-POS-b4d6b7fc-5
0.773
EDJ-MED-6b23330e-3
0.772
MAT-POS-e75f6e44-18
0.770
MAT-POS-e75f6e44-20
0.770
VLA-UNK-5d8210f0-2
0.763
MAT-POS-e75f6e44-21
0.762
ALP-POS-afe0272e-1
0.758
EDJ-MED-b6c6ee2b-2
0.758
EDJ-MED-40e596c8-1
0.742
MIK-ENA-9eb8d9fb-1
0.738
MAT-POS-b4d6b7fc-7
0.728
LUO-POS-e1dab717-1
0.724
ALP-POS-ecbed2ba-7
0.724
MAT-POS-69786b79-1
0.724
MAT-POS-576f7758-1
0.724
MAT-POS-566864e2-3
0.724
MAT-POS-566864e2-4
0.724
VLA-UNK-3bd6fc51-1
0.719
VLA-UNK-5d8210f0-1
0.717
EDJ-MED-b6c6ee2b-1
0.713
MAT-POS-38eb6498-3
0.713
MAT-POS-1d5ab790-2
0.710
PET-UNK-eeb64427-1
0.710
PET-UNK-df7eb4e6-1
0.710
PET-UNK-df7eb4e6-5
0.710
MAT-POS-b4d6b7fc-6
0.710
PET-UNK-eeb64427-4
0.710
ALP-POS-c3a90b22-2
0.710
EDJ-MED-40e596c8-3
0.692
LUO-POS-e1dab717-17
0.690
ALP-POS-c3a90b22-4
0.689
MIK-ENA-f73d8b60-1
0.689
LUO-POS-ed2cfb03-2
0.684
PET-UNK-c6bcc80b-5
0.676
PET-UNK-c6bcc80b-12
0.676
EDJ-MED-40e596c8-2
0.673
EDJ-MED-7587a9ee-3
0.670
MAT-POS-1bed62cf-3
0.670
JOH-MSK-1f2dff76-1
0.670
JOH-MSK-1f2dff76-2
0.670
LUO-POS-e1dab717-18
0.670
ALP-POS-c3a90b22-10
0.670
PET-UNK-7e9559de-1
0.663
PET-UNK-7e9559de-4
0.663
ALP-POS-c3a90b22-7
0.663
MAT-POS-96396902-1
0.663
PET-UNK-14142a25-10
0.660
EDJ-MED-8bb691af-8
0.660
LUO-POS-9931618f-1
0.660
PET-UNK-14142a25-1
0.660
MIK-ENA-37e0b697-1
0.660