Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)C(=O)N(c1cncc3ccccc13)CC21CC1 |
| MW: | 460.17 |
| Fraction sp3: | 0.35 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.51 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-02-05 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
LUO-POS-f7b1afe6-4
0.766
MAT-POS-50a80394-7
0.766
EDJ-MED-8bb691af-4
0.650
MAT-POS-c7726e07-5
0.650
LUO-POS-868e8996-12
0.650
MAT-POS-c7726e07-6
0.650
LUO-POS-868e8996-11
0.650
MAT-POS-50a80394-4
0.644
MAT-POS-50a80394-5
0.644
ALP-POS-133e7cd9-1
0.637
EDJ-MED-8bb691af-3
0.634
MAT-POS-50a80394-6
0.619
ALP-POS-01611061-2
0.604
LUO-POS-f7b1afe6-1
0.604
VLA-UNK-5d8210f0-4
0.594
MAT-POS-ddfe83c6-5
0.590
EDJ-MED-8bb691af-1
0.588
LUO-POS-e1dab717-17
0.585
LUO-POS-e1dab717-18
0.581
VLA-MRT-a639d434-1
0.581
VLA-MRT-8c78ee15-3
0.581
MAT-POS-ddfe83c6-4
0.581
MAT-POS-ddfe83c6-3
0.575
ALP-POS-01611061-3
0.573
MIC-UNK-eb20c3e1-1
0.570
MAT-POS-ddfe83c6-2
0.570
MIK-ENA-1494235a-1
0.569
MIK-ENA-4ed700b1-1
0.569
MIK-ENA-4a1c9a78-1
0.569
VLA-UNK-5d8210f0-5
0.569
MAT-POS-1bed62cf-3
0.566
JOH-MSK-1f2dff76-1
0.566
JOH-MSK-1f2dff76-2
0.566
PET-UNK-94036022-7
0.566
PET-UNK-94036022-14
0.566
EDJ-MED-24007d8a-1
0.565
PET-UNK-eeb64427-1
0.560
PET-UNK-eeb64427-4
0.560
MAT-POS-69786b79-3
0.560
EDJ-MED-6b23330e-6
0.554
LUO-POS-e1dab717-19
0.552
PET-UNK-eeb64427-2
0.550
PET-UNK-eeb64427-5
0.550
EDJ-MED-6b23330e-1
0.550
PET-UNK-eeb64427-3
0.545
PET-UNK-eeb64427-6
0.545
VLA-UNK-5d8210f0-2
0.545
LUO-POS-e1dab717-1
0.541
ALP-POS-ecbed2ba-7
0.541
MAT-POS-69786b79-1
0.541
MAT-POS-576f7758-1
0.541
MAT-POS-566864e2-3
0.541
MAT-POS-566864e2-4
0.541
ALP-POS-ecbed2ba-14
0.541
MAT-POS-e75f6e44-1
0.541
MAT-POS-e75f6e44-6
0.540
VLA-UNK-5d8210f0-1
0.536
ALP-POS-c3a90b22-6
0.536
EDJ-MED-6b23330e-7
0.536
EDJ-MED-6b23330e-2
0.536
MAT-POS-e75f6e44-4
0.536
EDJ-MED-6b23330e-5
0.536
EDJ-MED-33064c06-16
0.535
MAT-POS-e75f6e44-10
0.535
MAT-POS-ddfe83c6-6
0.532
ALP-POS-c3a90b22-2
0.532
EDJ-MED-6b23330e-4
0.531
ALP-POS-c3a90b22-4
0.531
MAT-POS-e75f6e44-7
0.531
MAT-POS-e75f6e44-20
0.530
BRU-THA-ae0174a8-1
0.527
ALP-POS-ecbed2ba-12
0.527
MAT-POS-69786b79-2
0.527
VLA-UNK-61877630-3
0.527
LUO-POS-e1dab717-13
0.527
VLA-UNK-8e615992-4
0.527
MAT-POS-566864e2-1
0.527
MAT-POS-566864e2-2
0.527
MAT-POS-e75f6e44-5
0.527
MAT-POS-69786b79-4
0.526
MAT-POS-e75f6e44-19
0.526
ALP-POS-afe0272e-1
0.523
MAT-POS-e75f6e44-2
0.522
MAT-POS-e75f6e44-3
0.522
MAT-POS-e75f6e44-11
0.522
MAT-POS-e75f6e44-17
0.518
MAT-POS-38eb6498-5
0.518
ALP-POS-c3a90b22-10
0.517
EDJ-MED-8bb691af-8
0.514
PET-UNK-14142a25-1
0.514
LUO-POS-9931618f-1
0.514
MIK-ENA-37e0b697-1
0.514
LUO-POS-9931618f-2
0.514
MIK-ENA-794411b8-1
0.514
PET-UNK-14142a25-10
0.514
LUO-POS-b4dec3be-1
0.513
MIK-ENA-4bb8c98f-1
0.513
MAT-POS-b4d6b7fc-5
0.513
MIK-ENA-610c7cf9-1
0.513
LUO-POS-b4dec3be-2
0.513