Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)C1(N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(Cl)cc45)C3=O)C2)CC1 |
| MW: | 494.13 |
| Fraction sp3: | 0.35 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 4.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-02-05 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
LUO-POS-e1dab717-5
0.808
ALP-POS-ecbed2ba-7
0.792
LUO-POS-e1dab717-1
0.792
MAT-POS-576f7758-1
0.792
MAT-POS-566864e2-3
0.792
MAT-POS-566864e2-4
0.792
MAT-POS-69786b79-1
0.792
EDJ-MED-4138fde9-3
0.764
LUO-POS-e1dab717-7
0.743
ALP-POS-c3a90b22-2
0.740
ALP-POS-c3a90b22-10
0.714
MAT-POS-ddfe83c6-6
0.710
EDJ-MED-4138fde9-4
0.698
LUO-POS-e1dab717-9
0.698
ALP-POS-c3a90b22-4
0.686
LUO-POS-e1dab717-13
0.667
MIK-ENA-f73d8b60-1
0.654
EDJ-MED-59d5ca70-2
0.636
EDJ-MED-d4864bdc-1
0.632
LUO-POS-e1dab717-4
0.626
EDJ-MED-4cb9dd84-3
0.615
EDJ-MED-b6c6ee2b-4
0.606
LUO-POS-8c3e556a-1
0.594
LUO-POS-8c3e556a-2
0.594
EDG-MED-b1ef7fe3-1
0.594
MAT-POS-b4d6b7fc-5
0.591
LUO-POS-b4dec3be-1
0.591
MIK-ENA-4bb8c98f-1
0.591
MIK-ENA-610c7cf9-1
0.591
LUO-POS-b4dec3be-2
0.591
MAT-POS-38eb6498-5
0.580
EDJ-MED-b6c6ee2b-2
0.580
LUO-POS-868e8996-11
0.565
MAT-POS-c7726e07-5
0.565
LUO-POS-868e8996-12
0.565
MAT-POS-c7726e07-6
0.565
EDJ-MED-8bb691af-4
0.565
MAT-POS-38eb6498-2
0.554
EDJ-MED-b6c6ee2b-1
0.541
MAT-POS-38eb6498-3
0.541
ALP-POS-c3a90b22-6
0.531
LUO-POS-ed2cfb03-2
0.527
MIK-ENA-4a1c9a78-1
0.522
EDJ-MED-4cb9dd84-2
0.522
MIK-ENA-1494235a-1
0.522
MIK-ENA-4ed700b1-1
0.522
MIK-ENA-434a856c-1
0.522
MIK-ENA-93ef1e28-1
0.522
MAT-POS-853c0ffa-21
0.521
EDJ-MED-b6c6ee2b-7
0.521
MAT-POS-853c0ffa-20
0.517
MAT-POS-853c0ffa-11
0.516
EDJ-MED-7587a9ee-3
0.514
EDJ-MED-976a33d5-3
0.513
MAT-POS-853c0ffa-13
0.513
MIC-UNK-eb20c3e1-4
0.509
LUO-POS-e1dab717-6
0.508
MAT-POS-853c0ffa-14
0.508
EDJ-MED-5cd3920d-3
0.508
EDJ-MED-5cd3920d-4
0.508
EDJ-MED-5cd3920d-2
0.508
MIK-ENA-60569a44-1
0.508
MIK-ENA-bb7b6957-1
0.508
EDJ-MED-b6c6ee2b-3
0.508
MIK-ENA-30ee93be-1
0.508
LUO-POS-e1dab717-19
0.505
EDJ-MED-6b23330e-1
0.504
MAT-POS-e75f6e44-4
0.504
EDJ-MED-6b23330e-5
0.504
MAT-POS-853c0ffa-12
0.504
EDJ-MED-ee81482e-5
0.504
MAT-POS-1a788f51-1
0.500
EDJ-MED-b6c6ee2b-6
0.500
EDG-MED-b1ef7fe3-2
0.500
EDJ-MED-4138fde9-1
0.500
EDJ-MED-6b23330e-4
0.500
MAT-POS-69786b79-3
0.500
EDJ-MED-cc48ee33-5
0.500
EDJ-MED-5cd3920d-1
0.496
PET-UNK-c6bcc80b-5
0.496
PET-UNK-c6bcc80b-12
0.496
MAT-POS-e75f6e44-6
0.496
MAT-POS-e75f6e44-19
0.496
MAT-POS-576f7758-2
0.496
LUO-POS-e1dab717-2
0.496
EDJ-MED-976a33d5-1
0.496
MAT-POS-e48723dc-1
0.496
MAT-POS-e48723dc-2
0.496
ALP-POS-ecbed2ba-14
0.496
MAT-POS-69786b79-2
0.496
EDJ-MED-40e596c8-1
0.496
MAT-POS-1a788f51-2
0.492
EDJ-MED-4138fde9-5
0.492
MAT-POS-ddfe83c6-1
0.492
EDJ-MED-6b23330e-7
0.492
MAT-POS-38eb6498-6
0.492
EDJ-MED-6b23330e-2
0.492
ALP-POS-ecbed2ba-3
0.491
EDJ-MED-3707c4bc-1
0.491
ALP-POS-ecbed2ba-20
0.491