Molecule Details
| Molecular Properties | |
| SMILES: | Cc1nc(CN2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccc(F)cc34)C2)cs1 |
| MW: | 466.1 |
| Fraction sp3: | 0.21 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 58.12 |
| cLogP: | 5.53 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
MAT-POS-dd3ad2b5-4
EDJ-MED-009f762b-2
1.000
EDJ-MED-009f762b-1
0.775
MAT-POS-24589f88-16
0.775
EDJ-MED-009f762b-4
0.767
MAT-POS-61f37a1a-13
0.767
MAT-POS-61f37a1a-5
0.736
EDJ-MED-009f762b-3
0.736
EDJ-MED-009f762b-5
0.692
PET-UNK-162c14b2-2
0.686
PET-UNK-03fd2068-3
0.625
EDJ-MED-841e0cf0-5
0.607
EDJ-MED-670ad2ee-6
0.607
EDJ-MED-841e0cf0-7
0.607
EDJ-MED-670ad2ee-5
0.607
EDJ-MED-670ad2ee-9
0.607
EDJ-MED-670ad2ee-10
0.607
EDJ-MED-670ad2ee-7
0.602
EDJ-MED-670ad2ee-8
0.602
EDJ-MED-841e0cf0-6
0.602
PET-UNK-5ba9a1cb-3
0.598
MAT-POS-81ae2990-3
0.574
ALF-EVA-0e90125c-9
0.570
PET-UNK-5ba9a1cb-1
0.565
MAT-POS-81ae2990-6
0.559
PET-UNK-5ba9a1cb-2
0.557
MAT-POS-b4d6b7fc-9
0.556
MAT-POS-81ae2990-9
0.556
EDJ-MED-fa7708b3-3
0.547
RAL-THA-ee48ba5f-5
0.541
MIC-UNK-482af05e-2
0.541
EDJ-MED-7889e8da-1
0.539
BEN-DND-f06bfa8e-2
0.539
EDJ-MED-0186a59b-1
0.539
ALP-POS-6f6ae286-5
0.539
EDJ-MED-fa7708b3-2
0.538
MAT-POS-4223bc15-24
0.531
MAT-POS-4223bc15-23
0.527
MAT-POS-4223bc15-27
0.527
MAT-POS-4223bc15-26
0.527
MAT-POS-8293a91a-4
0.527
MAT-POS-8293a91a-5
0.527
MAT-POS-97ec4bd1-3
0.525
PET-UNK-1b92fa34-2
0.523
MAT-POS-4223bc15-25
0.523
PET-UNK-162c14b2-1
0.523
EDJ-MED-c40d95bc-2
0.523
MAT-POS-4223bc15-21
0.523
MAT-POS-61f37a1a-12
0.523
EDJ-MED-fa7708b3-1
0.522
RAL-THA-ee48ba5f-1
0.522
EDJ-MED-ede277f6-7
0.521
EDJ-MED-e9a22d5d-1
0.518
MIC-UNK-482af05e-1
0.518
MAT-POS-4223bc15-22
0.518
MAT-UNK-04ae9652-1
0.517
EDJ-MED-ede277f6-4
0.517
MAT-POS-2e8b2191-10
0.517
MAT-POS-4223bc15-28
0.513
RAL-THA-ee48ba5f-4
0.509
MAT-UNK-35705829-1
0.509
CLI-TLC-36f34aa2-1
0.508
MAT-UNK-f490e871-1
0.504
RAL-THA-ee48ba5f-2
0.504
MAT-POS-5cd9ea36-13
0.504
JOH-UNI-ededfdb6-1
0.504
EDJ-MED-c82a5324-3
0.504
MAT-POS-5cd9ea36-15
0.500
PET-UNK-03fd2068-4
0.500
RAL-THA-ee48ba5f-6
0.496
MAT-POS-e119ab4f-2
0.496
MAT-POS-c7726e07-3
0.496
MAT-POS-c7726e07-4
0.496
RAL-THA-6e4c80cf-2
0.491
MAT-POS-4223bc15-20
0.491
FRA-DIA-6238d354-2
0.491
PET-UNK-c6bcc80b-2
0.488
PET-UNK-c6bcc80b-9
0.488
EDJ-MED-c40d95bc-1
0.488
NIR-WEI-dcc3321b-6
0.488
ALF-EVA-07677224-1
0.488
MAT-POS-dd3ad2b5-1
0.486
BEN-DND-f2e727cd-6
0.486
EDJ-MED-0186a59b-2
0.483
MAT-POS-64942dd0-2
0.483
PET-UNK-03fd2068-5
0.483
EDJ-MED-7889e8da-3
0.483
MAT-POS-4223bc15-18
0.482
EDJ-MED-c82a5324-2
0.479
PET-UNK-ff046148-4
0.479
EDJ-MED-1b5395f9-6
0.478
EDJ-MED-1b5395f9-5
0.478
MAT-POS-4223bc15-17
0.478
EDJ-MED-1b5395f9-4
0.478
MAT-POS-4223bc15-6
0.478
MAT-POS-24589f88-3
0.478
MAT-POS-dd3ad2b5-4
0.478
MAT-POS-dd3ad2b5-2
0.478
RAL-THA-6e4c80cf-1
0.478
PET-UNK-9b23ef84-2
0.478
MAT-POS-24589f88-2
0.478