Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(OCCN(C)C)cc34)C2=O)C1 |
| MW: | 521.22 |
| Fraction sp3: | 0.39 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 7 |
| TPSA: | 78.01 |
| cLogP: | 3.06 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.20958075735735 |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | 2022-01-05 |
MAT-POS-38eb6498-3
1.000
MIK-ENA-30ee93be-1
0.866
EDJ-MED-b6c6ee2b-2
0.787
LUO-POS-e1dab717-7
0.761
MAT-POS-ddfe83c6-6
0.748
EDJ-MED-8bb691af-4
0.713
MAT-POS-c7726e07-5
0.713
LUO-POS-868e8996-12
0.713
MAT-POS-c7726e07-6
0.713
LUO-POS-868e8996-11
0.713
LUO-POS-b4dec3be-1
0.705
MIK-ENA-610c7cf9-1
0.705
MAT-POS-b4d6b7fc-5
0.705
MIK-ENA-4bb8c98f-1
0.705
LUO-POS-b4dec3be-2
0.705
EDJ-MED-b6c6ee2b-5
0.697
MAT-POS-38eb6498-4
0.697
MAT-POS-38eb6498-5
0.693
MAT-POS-853c0ffa-19
0.675
MIK-ENA-26b331e0-1
0.674
MAT-POS-853c0ffa-10
0.664
MAT-POS-853c0ffa-9
0.659
MAT-POS-38eb6498-1
0.659
LUO-POS-8484f2d3-1
0.659
MIK-ENA-8063e9dc-1
0.659
LUO-POS-8484f2d3-2
0.659
MIK-ENA-7066949b-1
0.659
MIK-ENA-f73d8b60-1
0.650
LUO-POS-e1dab717-8
0.638
EDJ-MED-4138fde9-3
0.637
MIK-ENA-1494235a-1
0.632
MIK-ENA-4ed700b1-1
0.632
MIK-ENA-4a1c9a78-1
0.632
EDJ-MED-4cb9dd84-3
0.627
ALP-POS-133e7cd9-1
0.626
MAT-POS-e75f6e44-10
0.625
EDJ-MED-33064c06-16
0.625
MAT-POS-b4d6b7fc-7
0.615
MAT-POS-b4d6b7fc-6
0.610
MAT-POS-1d5ab790-2
0.610
MAT-POS-69786b79-3
0.610
MAT-POS-e75f6e44-7
0.608
LUO-POS-e1dab717-19
0.605
MAT-POS-e75f6e44-1
0.605
ALP-POS-ecbed2ba-12
0.605
ALP-POS-ecbed2ba-14
0.605
MAT-POS-566864e2-1
0.605
MAT-POS-566864e2-2
0.605
MAT-POS-e75f6e44-6
0.603
MAT-POS-e75f6e44-4
0.600
EDJ-MED-6b23330e-7
0.600
MAT-POS-e75f6e44-3
0.600
PET-UNK-c6bcc80b-5
0.600
PET-UNK-c6bcc80b-12
0.600
EDJ-MED-6b23330e-1
0.600
EDJ-MED-6b23330e-2
0.600
EDJ-MED-6b23330e-5
0.600
MAT-POS-e75f6e44-2
0.600
EDJ-MED-d4864bdc-4
0.595
EDJ-MED-6b23330e-4
0.595
BRU-THA-ae0174a8-1
0.592
MAT-POS-e75f6e44-5
0.592
MAT-POS-69786b79-2
0.592
MAT-POS-40ad851a-4
0.591
MAT-POS-e75f6e44-13
0.590
MAT-POS-e75f6e44-19
0.590
EDJ-MED-6b23330e-6
0.590
MAT-POS-e75f6e44-15
0.590
EDJ-MED-4138fde9-4
0.590
ALP-POS-c3a90b22-6
0.588
LUO-POS-e1dab717-5
0.585
MAT-POS-e75f6e44-14
0.585
EDJ-MED-6b23330e-3
0.584
PET-UNK-df7eb4e6-1
0.583
PET-UNK-df7eb4e6-5
0.583
MAT-POS-40ad851a-2
0.582
MAT-POS-e75f6e44-17
0.582
MAT-POS-69786b79-4
0.577
MAT-POS-e75f6e44-12
0.577
MAT-POS-e75f6e44-8
0.576
MAT-POS-e75f6e44-16
0.576
MAT-POS-e75f6e44-21
0.576
MAT-POS-e75f6e44-9
0.576
MAT-POS-40ad851a-3
0.575
MAT-POS-e75f6e44-11
0.573
MIK-ENA-9eb8d9fb-1
0.571
VLA-UNK-5d8210f0-2
0.570
MAT-POS-e75f6e44-18
0.568
MAT-POS-e75f6e44-20
0.568
MAT-POS-1a788f51-1
0.565
EDJ-MED-4138fde9-1
0.564
ALP-POS-afe0272e-1
0.563
PET-UNK-eeb64427-1
0.557
PET-UNK-eeb64427-4
0.557
MAT-POS-1a788f51-2
0.556
MAT-POS-1a788f51-4
0.543
EDJ-MED-40e596c8-1
0.541
LUO-POS-e1dab717-3
0.541
EDJ-MED-ee81482e-3
0.540
MIK-UNK-1619f2e2-1
0.537