Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)C(=O)N(c1cncc3ccccc13)CC2(C)C |
| MW: | 462.18 |
| Fraction sp3: | 0.35 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.76 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-02-05 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
MAT-POS-50a80394-7
1.000
LUO-POS-f7b1afe6-3
0.766
MAT-POS-50a80394-4
0.631
MAT-POS-50a80394-5
0.631
MAT-POS-c7726e07-5
0.621
EDJ-MED-8bb691af-3
0.621
EDJ-MED-8bb691af-4
0.621
LUO-POS-868e8996-11
0.621
MAT-POS-c7726e07-6
0.621
LUO-POS-868e8996-12
0.621
MAT-POS-ddfe83c6-5
0.610
ALP-POS-133e7cd9-1
0.610
MAT-POS-50a80394-6
0.607
MAT-POS-ddfe83c6-2
0.604
MAT-POS-50a80394-8
0.600
ALP-POS-01611061-1
0.600
LUO-POS-f7b1afe6-2
0.600
EDJ-MED-24007d8a-1
0.583
EDJ-MED-8bb691af-1
0.577
MIC-UNK-eb20c3e1-1
0.574
JOH-MSK-1f2dff76-1
0.570
JOH-MSK-1f2dff76-2
0.570
LUO-POS-e1dab717-18
0.570
PET-UNK-94036022-14
0.570
VLA-MRT-a639d434-1
0.570
PET-UNK-94036022-7
0.570
MAT-POS-1bed62cf-3
0.570
MAT-POS-ddfe83c6-4
0.570
VLA-MRT-8c78ee15-3
0.570
MAT-POS-ddfe83c6-3
0.565
PET-UNK-eeb64427-2
0.555
PET-UNK-eeb64427-5
0.555
PET-UNK-eeb64427-1
0.550
PET-UNK-eeb64427-3
0.550
PET-UNK-eeb64427-4
0.550
PET-UNK-eeb64427-6
0.550
MAT-POS-69786b79-3
0.550
LUO-POS-e1dab717-17
0.545
MIK-ENA-4a1c9a78-1
0.545
MIK-ENA-1494235a-1
0.545
MIK-ENA-4ed700b1-1
0.545
VLA-UNK-5d8210f0-4
0.541
VLA-UNK-5d8210f0-5
0.531
LUO-POS-e1dab717-19
0.528
ALP-POS-c3a90b22-6
0.527
MAT-POS-e75f6e44-4
0.526
EDJ-MED-6b23330e-5
0.526
EDJ-MED-6b23330e-1
0.526
MAT-POS-ddfe83c6-6
0.523
VLA-UNK-5d8210f0-2
0.522
MAT-POS-e75f6e44-1
0.518
ALP-POS-ecbed2ba-14
0.518
MAT-POS-e75f6e44-6
0.517
MAT-POS-e75f6e44-19
0.517
VLA-UNK-5d8210f0-1
0.513
EDJ-MED-6b23330e-2
0.513
EDJ-MED-6b23330e-7
0.513
EDJ-MED-33064c06-16
0.513
MAT-POS-e75f6e44-10
0.513
MAT-POS-e75f6e44-7
0.509
EDJ-MED-6b23330e-4
0.509
MAT-POS-e75f6e44-20
0.508
MAT-POS-566864e2-3
0.504
MAT-POS-566864e2-4
0.504
ALP-POS-ecbed2ba-7
0.504
LUO-POS-e1dab717-1
0.504
MAT-POS-576f7758-1
0.504
MAT-POS-69786b79-1
0.504
MIK-ENA-4bb8c98f-1
0.504
LUO-POS-b4dec3be-1
0.504
MIK-ENA-610c7cf9-1
0.504
LUO-POS-b4dec3be-2
0.504
MAT-POS-566864e2-1
0.504
MAT-POS-566864e2-2
0.504
MAT-POS-e75f6e44-5
0.504
MAT-POS-b4d6b7fc-5
0.504
MAT-POS-69786b79-2
0.504
BRU-THA-ae0174a8-1
0.504
ALP-POS-ecbed2ba-12
0.504
EDJ-MED-6b23330e-6
0.504
MAT-POS-e75f6e44-16
0.504
ALP-POS-afe0272e-1
0.500
MAT-POS-e75f6e44-2
0.500
MAT-POS-e75f6e44-3
0.500
EDJ-MED-3af0740c-6
0.496
MAT-POS-e75f6e44-17
0.496
MAT-POS-38eb6498-5
0.496
ALP-POS-c3a90b22-2
0.496
MAT-POS-89bd6af1-3
0.495
ALP-POS-e266d783-2
0.495
MAT-UNK-28cf4d29-1
0.495
MAT-POS-e75f6e44-8
0.492
MAT-POS-e75f6e44-9
0.492
MAT-POS-e75f6e44-12
0.492
MAT-POS-e75f6e44-13
0.492
MAT-POS-e75f6e44-15
0.492
MAT-POS-69786b79-4
0.492
VLA-UNK-61877630-3
0.491
LUO-POS-e1dab717-13
0.491
VLA-UNK-8e615992-4
0.491