Molecule Details
| Molecular Properties | |
| SMILES: | O=C1N(c2cncc3ccccc23)CCC12CN(C1(C(=O)NCC3CC3)CC1)Cc1ccc(Cl)cc12 |
| MW: | 500.2 |
| Fraction sp3: | 0.41 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 65.54 |
| cLogP: | 4.44 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
ALP-POS-ecbed2ba-12
MAT-POS-576f7758-1
0.800
ALP-POS-ecbed2ba-7
0.800
MAT-POS-566864e2-3
0.800
MAT-POS-566864e2-4
0.800
LUO-POS-e1dab717-1
0.800
MAT-POS-69786b79-1
0.800
ALP-POS-c3a90b22-2
0.767
ALP-POS-c3a90b22-10
0.725
ALP-POS-c3a90b22-4
0.713
ALP-POS-ecbed2ba-12
0.710
MAT-POS-566864e2-1
0.710
MAT-POS-566864e2-2
0.710
LUO-POS-e1dab717-13
0.679
MAT-POS-e75f6e44-13
0.676
MIK-ENA-9eb8d9fb-1
0.667
EDJ-MED-59d5ca70-1
0.652
MAT-POS-e75f6e44-14
0.640
LUO-POS-868e8996-11
0.639
MAT-POS-c7726e07-6
0.639
LUO-POS-868e8996-12
0.639
MAT-POS-c7726e07-5
0.639
EDJ-MED-8bb691af-4
0.639
LUO-POS-e1dab717-3
0.636
MAT-POS-e75f6e44-18
0.635
MAT-POS-e75f6e44-20
0.635
MAT-POS-69786b79-2
0.634
MAT-POS-e75f6e44-16
0.629
MAT-POS-e75f6e44-21
0.629
EDJ-MED-40e596c8-2
0.623
LUO-POS-e1dab717-19
0.620
EDJ-MED-6b23330e-5
0.614
EDJ-MED-4cb9dd84-1
0.614
MAT-POS-e75f6e44-4
0.614
MAT-POS-e75f6e44-2
0.614
MAT-POS-e75f6e44-3
0.614
LUO-POS-e1dab717-5
0.612
EDJ-MED-40e596c8-3
0.612
EDJ-MED-6b23330e-4
0.609
BRU-THA-ae0174a8-1
0.605
ALP-POS-ecbed2ba-14
0.605
MAT-POS-e75f6e44-5
0.605
MAT-POS-e75f6e44-1
0.605
EDJ-MED-6b23330e-6
0.603
MAT-POS-e75f6e44-6
0.603
MAT-POS-e75f6e44-15
0.603
MAT-POS-e75f6e44-19
0.603
ALP-POS-c3a90b22-6
0.602
MAT-POS-e75f6e44-8
0.602
MAT-POS-e75f6e44-9
0.602
EDJ-MED-6b23330e-1
0.600
EDJ-MED-6b23330e-2
0.600
EDJ-MED-6b23330e-7
0.600
VLA-UNK-3bd6fc51-1
0.600
MAT-POS-e75f6e44-10
0.598
EDJ-MED-33064c06-16
0.598
LUO-POS-e1dab717-7
0.597
MAT-POS-69786b79-3
0.596
MAT-POS-e75f6e44-7
0.595
MAT-POS-e75f6e44-17
0.595
MAT-POS-be048f2c-7
0.593
LUO-POS-e1dab717-9
0.593
MIK-ENA-1494235a-1
0.591
MIK-ENA-4ed700b1-1
0.591
MIK-ENA-4a1c9a78-1
0.591
MAT-POS-e75f6e44-12
0.590
EDJ-MED-7587a9ee-3
0.587
LUO-POS-ed2cfb03-2
0.586
EDJ-MED-4138fde9-3
0.585
ALP-POS-c3a90b22-11
0.585
MAT-POS-e75f6e44-11
0.585
ALP-POS-ecbed2ba-5
0.581
EDJ-MED-40e596c8-1
0.579
EDJ-MED-4138fde9-8
0.578
ALP-POS-ecbed2ba-10
0.578
ALP-POS-ecbed2ba-20
0.577
MAT-POS-69786b79-4
0.576
EDJ-MED-4138fde9-9
0.576
LUO-POS-e1dab717-12
0.575
EDJ-MED-4cb9dd84-3
0.573
EDJ-MED-6b23330e-3
0.570
EDJ-MED-cc48ee33-3
0.569
EDJ-MED-cc48ee33-5
0.568
EDJ-MED-cc48ee33-4
0.564
PET-UNK-94036022-3
0.560
ALP-POS-ecbed2ba-3
0.560
ALP-POS-ecbed2ba-18
0.560
PET-UNK-94036022-10
0.560
EDJ-MED-accc2c4d-3
0.560
EDJ-MED-accc2c4d-4
0.560
EDJ-MED-3707c4bc-1
0.560
EDJ-MED-3707c4bc-2
0.560
PET-UNK-7e9559de-1
0.559
PET-UNK-7e9559de-4
0.559
MAT-POS-96396902-1
0.559
ALP-POS-c3a90b22-7
0.559
ALP-POS-ecbed2ba-19
0.559
ALP-POS-133e7cd9-1
0.557
ALP-POS-ecbed2ba-6
0.555
MAT-POS-be048f2c-5
0.554
MAT-POS-be048f2c-6
0.554