Molecule Details
| Molecular Properties | |
| SMILES: | N#CCN1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
| MW: | 376.11 |
| Fraction sp3: | 0.19 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 69.02 |
| cLogP: | 3.95 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-09-06 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
N-C-Hal or cyano methyl
cyanamide
EDJ-MED-036ae2e9-5
0.766
EDJ-MED-2791eece-5
0.756
MAT-POS-fb82b63d-4
0.753
EDJ-MED-2791eece-7
0.739
EDJ-MED-036ae2e9-6
0.731
EDJ-MED-2791eece-3
0.720
EDJ-MED-2791eece-4
0.691
EDJ-MED-036ae2e9-7
0.684
EDJ-MED-2791eece-9
0.684
EDJ-MED-487c5e9f-1
0.684
MAT-POS-fb82b63d-3
0.667
EDJ-MED-2791eece-2
0.652
EDJ-MED-b774e9fe-1
0.652
EDJ-MED-036ae2e9-1
0.645
EDJ-MED-b774e9fe-2
0.645
EDJ-MED-2791eece-6
0.645
EDJ-MED-2791eece-10
0.642
EDJ-MED-036ae2e9-3
0.642
EDJ-MED-b774e9fe-3
0.642
EDJ-MED-2791eece-8
0.642
EDJ-MED-2791eece-12
0.638
EDJ-MED-487c5e9f-2
0.637
EDJ-MED-036ae2e9-12
0.634
EDJ-MED-036ae2e9-2
0.632
EDJ-MED-036ae2e9-9
0.622
EDJ-MED-036ae2e9-10
0.622
EDJ-MED-487c5e9f-9
0.622
EDJ-MED-2791eece-11
0.619
EDJ-MED-487c5e9f-6
0.618
ALP-POS-d054b76b-2
0.600
EDJ-MED-036ae2e9-11
0.592
EDJ-MED-487c5e9f-11
0.592
EDJ-MED-036ae2e9-4
0.588
EDJ-MED-487c5e9f-12
0.587
EDJ-MED-487c5e9f-5
0.587
EDJ-MED-487c5e9f-7
0.583
EDJ-MED-487c5e9f-10
0.583
MAT-POS-61f37a1a-12
0.582
PET-UNK-162c14b2-1
0.582
EDJ-MED-036ae2e9-8
0.577
EDJ-MED-487c5e9f-4
0.577
EDJ-MED-487c5e9f-8
0.571
EDJ-MED-487c5e9f-3
0.570
DAR-DIA-4987d2cd-4
0.570
ALP-POS-d054b76b-4
0.567
DAR-DIA-4987d2cd-3
0.564
MAT-POS-5cd9ea36-24
0.548
MIC-UNK-91acba05-4
0.542
ALP-POS-477dc5b7-1
0.542
MAT-POS-fb82b63d-1
0.542
MIC-UNK-482af05e-2
0.539
MAT-POS-4223bc15-33
0.538
PET-UNK-4d432d33-2
0.535
PET-UNK-4d432d33-6
0.535
MAT-POS-dc2604c4-4
0.533
EDJ-MED-76744c27-6
0.533
MAT-POS-dd3ad2b5-3
0.530
PET-UNK-9b23ef84-2
0.530
MAT-POS-24589f88-3
0.530
MAT-POS-dd3ad2b5-2
0.530
MAT-POS-dd3ad2b5-4
0.530
MAT-POS-24589f88-2
0.530
EDJ-MED-e9a22d5d-1
0.529
MAT-POS-4223bc15-6
0.529
PET-UNK-5ad1c31a-1
0.529
PET-UNK-5ad1c31a-7
0.529
JOH-SUS-07b743f6-3
0.527
MAT-POS-dd3ad2b5-1
0.525
BEN-DND-f2e727cd-6
0.525
RAL-THA-ee48ba5f-5
0.524
MAT-POS-5cd9ea36-15
0.523
MAT-POS-e194df51-1
0.523
MAT-POS-e194df51-2
0.523
JOH-SUS-07b743f6-6
0.523
MAT-POS-dc2604c4-1
0.523
MAT-POS-5cd9ea36-21
0.523
MAT-POS-4223bc15-21
0.520
EDJ-MED-c40d95bc-2
0.520
MAT-POS-4223bc15-25
0.520
RAL-THA-ee48ba5f-4
0.519
BRU-THA-d60fe444-1
0.519
MAT-POS-4223bc15-35
0.519
MAT-POS-5cd9ea36-18
0.518
RAL-THA-ee48ba5f-3
0.518
MAT-POS-777f5926-4
0.518
MAT-POS-777f5926-3
0.518
ALP-POS-07e1ed01-1
0.518
MAT-POS-dc2604c4-3
0.518
RAL-THA-6e4c80cf-1
0.515
MAT-POS-4223bc15-19
0.515
MAT-POS-4223bc15-1
0.515
MAT-POS-4223bc15-3
0.515
EDJ-MED-1981ceba-2
0.514
MAT-POS-4223bc15-24
0.514
MAT-POS-5cd9ea36-11
0.514
EDJ-MED-12c4873b-3
0.510
MAT-POS-8293a91a-5
0.510
MAT-POS-4223bc15-26
0.510
MAT-POS-4223bc15-2
0.510
MAT-POS-4223bc15-23
0.510