Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(CS(C)(=N)=O)ccc23)C1 |
MW: | 499.14 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 115.25 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
EDJ-MED-4f4dd660-1
0.879
EDJ-MED-4f4dd660-5
0.835
ALP-POS-1460fd94-1
0.786
EDJ-MED-0186a59b-2
0.758
EDJ-MED-7889e8da-3
0.758
EDJ-MED-7889e8da-5
0.750
EDJ-MED-0186a59b-3
0.750
MAT-POS-b4d6b7fc-3
0.731
MAT-POS-b4d6b7fc-1
0.729
ALP-POS-6f6ae286-5
0.721
BEN-DND-f06bfa8e-2
0.721
EDJ-MED-0186a59b-1
0.721
EDJ-MED-7889e8da-1
0.721
MAT-POS-4223bc15-23
0.696
MAT-POS-8293a91a-4
0.696
MAT-POS-8293a91a-5
0.696
EDJ-MED-4f4dd660-4
0.684
PET-UNK-c6bcc80b-9
0.667
PET-UNK-c6bcc80b-2
0.667
MAT-POS-2e8b2191-10
0.643
MIC-UNK-51049f1a-4
0.633
EDJ-MED-ede277f6-6
0.626
EDJ-MED-ede277f6-8
0.626
MAT-POS-13080fc6-5
0.619
MAT-POS-97ec4bd1-3
0.611
RAL-THA-ee48ba5f-5
0.602
MAT-POS-13080fc6-6
0.600
EDJ-MED-ede277f6-4
0.600
EDJ-MED-378a25ea-23
0.597
EDJ-MED-4f4dd660-2
0.597
EDJ-MED-ede277f6-7
0.591
RAL-THA-ee48ba5f-2
0.589
EDJ-MED-0186a59b-4
0.589
JOH-UNI-ededfdb6-1
0.589
MAT-POS-5cd9ea36-15
0.584
EDJ-MED-c40d95bc-2
0.583
MAT-POS-4223bc15-21
0.583
MAT-POS-4223bc15-25
0.583
EDJ-MED-fa7708b3-1
0.580
RAL-THA-ee48ba5f-1
0.580
MIC-UNK-51049f1a-3
0.578
EDJ-MED-4f4dd660-6
0.577
MAT-POS-4223bc15-22
0.577
MAT-POS-4223bc15-24
0.577
MAT-POS-5cd9ea36-13
0.575
EDJ-MED-c82a5324-3
0.574
EDJ-MED-c82a5324-2
0.574
NIR-WEI-dcc3321b-6
0.569
RAL-THA-ee48ba5f-4
0.568
JAG-UCB-571deb56-4
0.553
JOH-UNI-ededfdb6-4
0.549
MAT-UNK-f490e871-1
0.548
NIR-WEI-dcc3321b-5
0.544
EDJ-MED-c40d95bc-1
0.542
JOH-UNI-ededfdb6-9
0.539
RAL-THA-ee48ba5f-6
0.538
RAL-THA-ee48ba5f-3
0.538
EDJ-MED-e9a22d5d-1
0.536
PET-UNK-03fd2068-4
0.531
MAT-POS-4223bc15-27
0.531
EDJ-MED-378a25ea-33
0.528
PET-UNK-162c14b2-1
0.527
MAT-POS-61f37a1a-12
0.527
MAT-UNK-35705829-1
0.526
MAT-POS-24589f88-2
0.523
MAT-POS-24589f88-3
0.523
MAT-POS-dd3ad2b5-4
0.523
MAT-POS-4223bc15-6
0.522
MAT-UNK-04ae9652-1
0.521
MAT-POS-4223bc15-26
0.518
EDJ-MED-12c4873b-3
0.518
MIC-UNK-482af05e-2
0.518
MAT-POS-4223bc15-28
0.517
JOH-UNI-ededfdb6-2
0.517
PET-UNK-af70882d-2
0.517
NIR-WEI-dcc3321b-1
0.516
BRU-THA-d60fe444-1
0.513
CLI-TLC-36f34aa2-1
0.513
NIR-WEI-dcc3321b-4
0.512
NIR-WEI-dcc3321b-2
0.511
MAT-POS-4223bc15-1
0.509
MIC-UNK-482af05e-1
0.509
EDJ-MED-009f762b-5
0.508
PET-UNK-af70882d-4
0.508
EDJ-MED-76744c27-5
0.508
MAT-POS-4223bc15-2
0.504
EDJ-MED-7889e8da-4
0.504
EDJ-MED-be9e6f63-4
0.504
MAT-POS-4223bc15-29
0.500
EDJ-MED-378a25ea-9
0.500
EDJ-MED-7889e8da-6
0.500
EDJ-MED-378a25ea-1
0.500
EDJ-MED-fa7708b3-3
0.500
MAT-POS-22373164-1
0.496
ANN-CHE-e1757302-2
0.496
ALF-EVA-0e90125c-9
0.496
EDJ-MED-4fff0a85-2
0.496
PET-UNK-ff046148-4
0.496
MAT-POS-5cd9ea36-10
0.496
MAT-POS-dd1fff26-1
0.496