Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)C1(N2Cc3ccc(Cl)cc3[C@]3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 460.17 |
| Fraction sp3: | 0.35 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.66 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-04 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
MAT-POS-69786b79-1
1.000
MAT-POS-576f7758-1
1.000
ALP-POS-ecbed2ba-7
1.000
MAT-POS-566864e2-4
1.000
MAT-POS-566864e2-3
1.000
ALP-POS-c3a90b22-2
0.933
ALP-POS-c3a90b22-10
0.875
ALP-POS-c3a90b22-4
0.863
LUO-POS-e1dab717-13
0.842
EDJ-MED-59d5ca70-2
0.800
LUO-POS-e1dab717-3
0.792
LUO-POS-e1dab717-5
0.738
LUO-POS-e1dab717-9
0.731
EDJ-MED-8bb691af-4
0.724
MAT-POS-c7726e07-5
0.724
LUO-POS-868e8996-12
0.724
LUO-POS-868e8996-11
0.724
MAT-POS-c7726e07-6
0.724
LUO-POS-e1dab717-7
0.696
EDJ-MED-4138fde9-3
0.685
LUO-POS-ed2cfb03-2
0.680
ALP-POS-c3a90b22-6
0.680
EDJ-MED-7587a9ee-3
0.667
MIK-ENA-4a1c9a78-1
0.667
MIK-ENA-1494235a-1
0.667
MIK-ENA-4ed700b1-1
0.667
LUO-POS-e1dab717-19
0.653
MAT-POS-e75f6e44-4
0.645
EDJ-MED-6b23330e-5
0.645
EDJ-MED-976a33d5-3
0.642
MAT-POS-69786b79-3
0.642
EDJ-MED-6b23330e-4
0.639
EDJ-MED-40e596c8-1
0.638
ALP-POS-ecbed2ba-20
0.637
ALP-POS-ecbed2ba-14
0.636
LUO-POS-e1dab717-2
0.636
EDJ-MED-976a33d5-1
0.636
MAT-POS-576f7758-2
0.636
MAT-POS-e48723dc-1
0.636
MAT-POS-e48723dc-2
0.636
MAT-POS-69786b79-2
0.636
MAT-POS-e75f6e44-6
0.633
MAT-POS-e75f6e44-19
0.633
ALP-POS-ecbed2ba-3
0.632
EDJ-MED-d4864bdc-1
0.632
EDJ-MED-6b23330e-1
0.630
EDJ-MED-6b23330e-2
0.630
EDJ-MED-6b23330e-7
0.630
ALP-POS-133e7cd9-1
0.629
EDJ-MED-4138fde9-4
0.628
EDJ-MED-cc48ee33-3
0.626
EDJ-MED-cc48ee33-5
0.624
MAT-POS-e75f6e44-7
0.624
LUO-POS-ed2cfb03-1
0.623
BRU-THA-ae0174a8-1
0.620
ALP-POS-ecbed2ba-12
0.620
MAT-POS-566864e2-1
0.620
EDJ-MED-cc48ee33-4
0.620
MAT-POS-566864e2-2
0.620
MAT-POS-e75f6e44-1
0.620
MAT-POS-e75f6e44-5
0.620
EDJ-MED-6b23330e-6
0.618
PET-UNK-94036022-3
0.617
PET-UNK-94036022-10
0.617
EDJ-MED-3707c4bc-1
0.617
EDJ-MED-3707c4bc-2
0.617
ALP-POS-ecbed2ba-18
0.617
MAT-POS-e75f6e44-8
0.616
MAT-POS-e75f6e44-9
0.616
VLA-UNK-3bd6fc51-1
0.615
ALP-POS-ecbed2ba-19
0.615
MAT-POS-e75f6e44-2
0.615
MAT-POS-e75f6e44-3
0.615
EDJ-MED-40e596c8-3
0.613
MAT-POS-e75f6e44-10
0.613
EDJ-MED-33064c06-16
0.613
EDJ-MED-8bb691af-8
0.610
LUO-POS-9931618f-1
0.610
MIK-ENA-37e0b697-1
0.610
PET-UNK-14142a25-1
0.610
MIK-ENA-794411b8-1
0.610
LUO-POS-9931618f-2
0.610
PET-UNK-14142a25-10
0.610
ALP-POS-ecbed2ba-6
0.609
EDJ-MED-98c0a822-1
0.609
EDJ-MED-98c0a822-3
0.609
ALP-POS-c3a90b22-1
0.609
MAT-POS-e75f6e44-17
0.609
MAT-POS-be048f2c-6
0.607
ALP-POS-ecbed2ba-10
0.606
PET-UNK-94036022-2
0.606
PET-UNK-94036022-9
0.606
MIC-UNK-eb20c3e1-4
0.606
ALP-POS-ecbed2ba-1
0.604
MAT-POS-69786b79-4
0.604
MAT-POS-e75f6e44-12
0.604
MAT-POS-e75f6e44-13
0.604
MAT-POS-e75f6e44-15
0.604
EDJ-MED-accc2c4d-3
0.602
EDJ-MED-accc2c4d-4
0.602