Molecule Details
| Molecular Properties | |
| SMILES: | N#CCNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 433.13 |
| Fraction sp3: | 0.22 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 98.12 |
| cLogP: | 3.07 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.083383332251842 |
| Order Status | |
| Ordered: | 2021-07-11 |
| Synthesis Location: | enamine |
| Shipped: | 2021-08-05 |
cyanohydrin
N-C-Hal or cyano methyl
cyanamide
EDJ-MED-ede277f6-12
EDJ-MED-ede277f6-11
EDJ-MED-ede277f6-10
EDJ-MED-ede277f6-9
EDJ-MED-ede277f6-7
EDJ-MED-ede277f6-6
EDJ-MED-ede277f6-5
EDJ-MED-ede277f6-3
EDJ-MED-ede277f6-2
EDJ-MED-ede277f6-1
EDJ-MED-ede277f6-8
EDJ-MED-ede277f6-4
EDJ-MED-dac03e7f-7
EDJ-MED-dac03e7f-5
EDJ-MED-dac03e7f-4
EDJ-MED-dac03e7f-2
EDJ-MED-dac03e7f-1
EDJ-MED-dac03e7f-3
EDJ-MED-dac03e7f-8
EDJ-MED-dac03e7f-6
MAT-POS-8293a91a-5
0.822
MAT-POS-8293a91a-4
0.822
MAT-POS-4223bc15-23
0.822
EDJ-MED-c82a5324-3
0.811
MAT-POS-4223bc15-25
0.800
EDJ-MED-ede277f6-4
0.786
MAT-POS-4223bc15-22
0.785
EDJ-MED-c40d95bc-2
0.780
MAT-POS-4223bc15-21
0.780
JOH-UNI-ededfdb6-1
0.779
MAT-POS-4223bc15-24
0.766
PET-UNK-162c14b2-1
0.761
MAT-POS-61f37a1a-12
0.761
MAT-POS-5cd9ea36-13
0.760
NIR-WEI-dcc3321b-6
0.747
EDJ-MED-ede277f6-6
0.745
EDJ-MED-c82a5324-2
0.737
EDJ-MED-54fbebd8-4
0.726
EDJ-MED-e9a22d5d-1
0.716
MAT-POS-4223bc15-27
0.708
RAL-THA-ee48ba5f-5
0.708
MAT-POS-4223bc15-28
0.704
RAL-THA-ee48ba5f-4
0.701
MAT-UNK-35705829-1
0.697
EDJ-MED-c40d95bc-1
0.692
NIR-WEI-dcc3321b-4
0.691
MIC-UNK-482af05e-2
0.691
MAT-POS-4223bc15-26
0.691
EDJ-MED-ede277f6-5
0.689
RAL-THA-6e4c80cf-1
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MAT-POS-4223bc15-19
0.684
EDJ-MED-0186a59b-2
0.684
EDJ-MED-7889e8da-3
0.684
EDJ-MED-fa7708b3-1
0.680
RAL-THA-ee48ba5f-1
0.680
MIC-UNK-482af05e-1
0.677
RAL-THA-ee48ba5f-2
0.673
MAT-UNK-f490e871-1
0.673
MAT-UNK-04ae9652-1
0.673
NIR-WEI-dcc3321b-1
0.667
BEN-DND-f2e727cd-6
0.663
MAT-POS-dd3ad2b5-1
0.663
RAL-THA-ee48ba5f-6
0.660
CLI-TLC-36f34aa2-1
0.660
RAL-THA-6e4c80cf-2
0.660
MAT-POS-4223bc15-20
0.660
NIR-WEI-dcc3321b-5
0.658
RAL-THA-ee48ba5f-3
0.657
PET-UNK-5ba9a1cb-2
0.654
PET-UNK-5ba9a1cb-3
0.654
MAT-POS-4223bc15-33
0.653
ALP-POS-6f6ae286-5
0.650
EDJ-MED-0186a59b-1
0.650
EDJ-MED-7889e8da-1
0.650
BEN-DND-f06bfa8e-2
0.650
MAT-POS-24589f88-2
0.649
MAT-POS-dd3ad2b5-2
0.649
MAT-POS-dd3ad2b5-3
0.649
MAT-POS-24589f88-3
0.649
PET-UNK-9b23ef84-2
0.649
MAT-POS-dd3ad2b5-4
0.649
EDJ-MED-fa7708b3-2
0.648
MAT-POS-5cd9ea36-24
0.647
MAT-POS-4223bc15-6
0.646
EDJ-MED-fa7708b3-3
0.642
ALF-EVA-0e90125c-9
0.638
MAT-POS-4223bc15-18
0.636
NIR-WEI-dcc3321b-3
0.635
PET-UNK-5ba9a1cb-1
0.632
EDJ-MED-036ae2e9-5
0.632
MAT-POS-dd3ad2b5-5
0.630
MAT-POS-4223bc15-1
0.630
NIR-WEI-dcc3321b-2
0.629
EDJ-MED-76744c27-6
0.629
MAT-POS-dc2604c4-4
0.629
MAT-POS-5cd9ea36-18
0.626
DAR-DIA-4987d2cd-1
0.625
PET-UNK-af70882d-4
0.625
EDJ-MED-76744c27-5
0.625
MAT-POS-4223bc15-2
0.624
PET-UNK-d61f3ea6-2
0.624
EDJ-MED-12c4873b-3
0.624
MAT-POS-5cd9ea36-17
0.621
ALP-POS-1460fd94-1
0.620
PET-UNK-9b23ef84-14
0.619
PET-UNK-d61f3ea6-3
0.619
MAT-POS-4223bc15-35
0.618
BRU-THA-d60fe444-1
0.618
MAT-POS-97ec4bd1-3
0.617
MAT-POS-dc2604c4-1
0.617
MAT-POS-bf364d7a-5
0.617
PET-UNK-af70882d-1
0.617
MAT-POS-5cd9ea36-1
0.617
EDJ-MED-76744c27-1
0.617
MAT-POS-e194df51-1
0.617
MAT-POS-e194df51-2
0.617
JOH-SUS-07b743f6-6
0.617
EDJ-MED-7889e8da-5
0.617
MAT-POS-bf364d7a-6
0.617
EDJ-MED-0186a59b-3
0.617