Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)NCC1CC1 |
| MW: | 474.18 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 3.9 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.0823742388247868 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2021-12-29 |
![CNC(=O)C1(N2Cc3ccc(Cl)cc3[C@@]3(CCN(c4cncc5ccccc45)C3=O)C2)CC1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-566864e2-3
MAT-POS-566864e2-2
MAT-POS-566864e2-4
MAT-POS-566864e2-1
EDJ-MED-4cb9dd84-3
EDJ-MED-4cb9dd84-2
EDJ-MED-4cb9dd84-1
EDJ-MED-6b23330e-7
EDJ-MED-6b23330e-6
EDJ-MED-6b23330e-5
EDJ-MED-6b23330e-3
EDJ-MED-6b23330e-2
EDJ-MED-6b23330e-1
EDJ-MED-6b23330e-4
EDJ-MED-59d5ca70-1
EDJ-MED-59d5ca70-2
MAT-POS-e75f6e44-21
MAT-POS-e75f6e44-20
MAT-POS-e75f6e44-19
MAT-POS-e75f6e44-18
MAT-POS-e75f6e44-17
MAT-POS-e75f6e44-16
MAT-POS-e75f6e44-15
MAT-POS-e75f6e44-14
MAT-POS-e75f6e44-13
MAT-POS-e75f6e44-12
MAT-POS-e75f6e44-11
MAT-POS-e75f6e44-10
MAT-POS-e75f6e44-9
MAT-POS-e75f6e44-8
MAT-POS-e75f6e44-7
MAT-POS-e75f6e44-6
MAT-POS-e75f6e44-5
MAT-POS-e75f6e44-3
MAT-POS-e75f6e44-2
MAT-POS-e75f6e44-1
MAT-POS-e75f6e44-4
MAT-POS-566864e2-1
1.000
ALP-POS-ecbed2ba-12
1.000
MAT-POS-e75f6e44-13
0.946
MAT-POS-e75f6e44-14
0.876
MAT-POS-e75f6e44-18
0.867
MAT-POS-e75f6e44-20
0.867
MAT-POS-e75f6e44-16
0.859
MAT-POS-e75f6e44-21
0.859
MIK-ENA-9eb8d9fb-1
0.832
LUO-POS-868e8996-12
0.811
MAT-POS-c7726e07-6
0.811
EDJ-MED-8bb691af-4
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LUO-POS-868e8996-11
0.811
MAT-POS-c7726e07-5
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EDJ-MED-4cb9dd84-3
0.808
BRU-THA-ae0174a8-1
0.798
ALP-POS-ecbed2ba-14
0.798
MAT-POS-69786b79-2
0.798
MAT-POS-e75f6e44-1
0.798
MAT-POS-e75f6e44-5
0.798
EDJ-MED-6b23330e-6
0.792
EDJ-MED-6b23330e-1
0.790
EDJ-MED-6b23330e-2
0.790
EDJ-MED-6b23330e-5
0.790
MAT-POS-e75f6e44-4
0.790
EDJ-MED-6b23330e-7
0.790
MAT-POS-e75f6e44-2
0.790
LUO-POS-e1dab717-19
0.789
EDJ-MED-33064c06-16
0.784
MAT-POS-e75f6e44-10
0.784
MAT-POS-e75f6e44-7
0.782
MAT-POS-e75f6e44-17
0.782
EDJ-MED-6b23330e-4
0.782
MAT-POS-e75f6e44-6
0.775
MAT-POS-e75f6e44-12
0.775
MAT-POS-e75f6e44-15
0.775
MAT-POS-e75f6e44-19
0.775
MAT-POS-69786b79-3
0.770
MAT-POS-e75f6e44-11
0.767
MAT-POS-e75f6e44-3
0.755
MAT-POS-e75f6e44-8
0.752
MAT-POS-e75f6e44-9
0.752
EDJ-MED-6b23330e-3
0.745
MIK-ENA-1494235a-1
0.745
MIK-ENA-4ed700b1-1
0.745
MIK-ENA-4a1c9a78-1
0.745
MAT-POS-69786b79-4
0.740
EDJ-MED-40e596c8-2
0.714
EDJ-MED-59d5ca70-2
0.710
EDJ-MED-40e596c8-3
0.701
ALP-POS-c3a90b22-6
0.692
ALP-POS-133e7cd9-1
0.689
EDJ-MED-4cb9dd84-1
0.689
VLA-UNK-3bd6fc51-1
0.676
EDJ-MED-40e596c8-1
0.667
LUO-POS-e1dab717-12
0.658
MAT-POS-ddfe83c6-6
0.657
ALP-POS-c3a90b22-11
0.655
MAT-POS-38eb6498-5
0.636
EDJ-MED-b6c6ee2b-2
0.636
MIK-ENA-4bb8c98f-1
0.633
LUO-POS-b4dec3be-1
0.633
MIK-ENA-610c7cf9-1
0.633
LUO-POS-b4dec3be-2
0.633
MAT-POS-b4d6b7fc-5
0.633
ALP-POS-c3a90b22-7
0.627
MAT-POS-96396902-1
0.627
PET-UNK-7e9559de-1
0.627
PET-UNK-7e9559de-4
0.627
VLA-UNK-5d8210f0-2
0.624
MAT-POS-69786b79-1
0.620
LUO-POS-e1dab717-1
0.620
MAT-POS-576f7758-1
0.620
MAT-POS-566864e2-3
0.620
ALP-POS-ecbed2ba-7
0.620
MAT-POS-566864e2-4
0.620
MAT-POS-be048f2c-7
0.619
ALP-POS-ecbed2ba-10
0.618
ALP-POS-afe0272e-1
0.617
EDJ-MED-7587a9ee-3
0.615
LUO-POS-ed2cfb03-2
0.613
ALP-POS-c3a90b22-2
0.609
EDJ-MED-59d5ca70-1
0.609
MIK-ENA-f73d8b60-1
0.607
ALP-POS-c3a90b22-12
0.605
EDJ-MED-33064c06-9
0.605
EDJ-MED-33064c06-4
0.605
MAT-POS-38eb6498-3
0.605
EDJ-MED-b6c6ee2b-1
0.605
ALP-POS-ecbed2ba-20
0.604
EDJ-MED-4138fde9-8
0.604
EDJ-MED-4138fde9-9
0.602
ALP-POS-ecbed2ba-18
0.600
MAT-POS-b4d6b7fc-7
0.600
EDJ-MED-33064c06-6
0.595
EDJ-MED-cc48ee33-3
0.595
ALP-POS-ecbed2ba-5
0.593
ALP-POS-c3a90b22-4
0.593
EDJ-MED-accc2c4d-1
0.589
EDJ-MED-cc48ee33-4
0.589