Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(OC)cc34)C2=O)C1 |
| MW: | 464.16 |
| Fraction sp3: | 0.32 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 74.77 |
| cLogP: | 3.13 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.153279934357818 |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | 2022-01-20 |
MAT-POS-ddfe83c6-6
0.814
EDJ-MED-b6c6ee2b-1
0.787
MAT-POS-38eb6498-3
0.787
MAT-POS-b4d6b7fc-5
0.782
LUO-POS-b4dec3be-1
0.782
MIK-ENA-610c7cf9-1
0.782
MIK-ENA-4bb8c98f-1
0.782
LUO-POS-b4dec3be-2
0.782
MAT-POS-38eb6498-5
0.767
EDJ-MED-8bb691af-4
0.758
LUO-POS-868e8996-11
0.758
MAT-POS-c7726e07-5
0.758
LUO-POS-868e8996-12
0.758
MAT-POS-c7726e07-6
0.758
LUO-POS-e1dab717-5
0.736
MIK-ENA-f73d8b60-1
0.685
MIK-ENA-30ee93be-1
0.678
EDJ-MED-4cb9dd84-3
0.676
MAT-POS-b4d6b7fc-7
0.661
MAT-POS-ddfe83c6-1
0.661
PET-UNK-c6bcc80b-5
0.658
PET-UNK-c6bcc80b-12
0.658
PET-UNK-df7eb4e6-1
0.657
PET-UNK-df7eb4e6-5
0.657
MIK-ENA-1494235a-1
0.651
MIK-ENA-4ed700b1-1
0.651
ALP-POS-ecbed2ba-14
0.651
MIK-ENA-4a1c9a78-1
0.651
ALP-POS-133e7cd9-1
0.645
MAT-POS-e75f6e44-10
0.643
EDJ-MED-33064c06-16
0.643
MAT-POS-b4d6b7fc-6
0.642
MAT-POS-1d5ab790-2
0.642
MAT-POS-69786b79-3
0.642
MIK-ENA-26b331e0-1
0.640
LUO-POS-e1dab717-19
0.638
ALP-POS-ecbed2ba-12
0.636
MAT-POS-566864e2-2
0.636
MAT-POS-566864e2-1
0.636
MAT-POS-e75f6e44-6
0.634
EDJ-MED-6b23330e-1
0.631
EDJ-MED-6b23330e-7
0.631
EDJ-MED-6b23330e-2
0.631
MAT-POS-e75f6e44-4
0.631
MAT-POS-e75f6e44-2
0.631
EDJ-MED-6b23330e-5
0.631
EDJ-MED-b6c6ee2b-3
0.629
MIK-ENA-60569a44-1
0.629
MIK-ENA-bb7b6957-1
0.629
EDJ-MED-6b23330e-4
0.625
MAT-POS-e75f6e44-7
0.625
BRU-THA-ae0174a8-1
0.622
MAT-POS-69786b79-2
0.622
MAT-POS-e75f6e44-1
0.622
MAT-POS-e75f6e44-5
0.622
EDJ-MED-6b23330e-6
0.619
MAT-POS-e75f6e44-13
0.619
MAT-POS-e75f6e44-19
0.619
MAT-POS-e75f6e44-15
0.619
ALP-POS-c3a90b22-6
0.618
MAT-POS-e75f6e44-3
0.616
PET-UNK-eeb64427-4
0.613
PET-UNK-eeb64427-1
0.613
EDJ-MED-6b23330e-3
0.612
MAT-POS-e75f6e44-17
0.611
MAT-POS-69786b79-4
0.605
MAT-POS-e75f6e44-12
0.605
LUO-POS-e1dab717-6
0.603
MAT-POS-e75f6e44-9
0.603
MAT-POS-e75f6e44-16
0.603
MAT-POS-e75f6e44-21
0.603
MAT-POS-e75f6e44-8
0.603
EDJ-MED-4138fde9-3
0.600
MAT-POS-e75f6e44-11
0.600
MAT-POS-e75f6e44-14
0.600
MAT-POS-e75f6e44-18
0.595
MAT-POS-e75f6e44-20
0.595
EDJ-MED-705e09b8-1
0.589
MIK-UNK-1619f2e2-1
0.589
MIK-UNK-122557fa-1
0.589
LUO-POS-e1dab717-7
0.585
MIK-ENA-9eb8d9fb-1
0.585
VLA-UNK-5d8210f0-2
0.584
LUO-POS-e1dab717-3
0.580
ALP-POS-afe0272e-1
0.577
EDJ-MED-40e596c8-1
0.566
EDJ-MED-4138fde9-4
0.554
MAT-POS-566864e2-4
0.553
MAT-POS-69786b79-1
0.553
LUO-POS-e1dab717-1
0.553
ALP-POS-ecbed2ba-7
0.553
MAT-POS-576f7758-1
0.553
MAT-POS-566864e2-3
0.553
LUO-POS-e1dab717-17
0.553
MAT-POS-1bed62cf-3
0.549
JOH-MSK-1f2dff76-1
0.549
JOH-MSK-1f2dff76-2
0.549
VLA-UNK-5d8210f0-1
0.548
EDJ-MED-40e596c8-3
0.546
VLA-UNK-3bd6fc51-1
0.545