Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3nncn3C3CC3)C2)CC1 |
MW: | 460.11 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 120.98 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 55.3431987015271 |
Order Status | |
Ordered: | 2021-12-08 |
Synthesis Location: | enamine |
Shipped: | 2021-12-29 |
Hetero_hetero
JAG-UCB-a3ef7265-20
EDJ-MED-fb79a796-1
0.602
JOH-UNI-7e3f498e-1
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EDJ-MED-be9e6f63-4
0.581
EDJ-MED-7889e8da-4
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JOH-UNI-2440d4f3-4
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MAT-POS-dc2604c4-1
0.579
MAT-POS-e194df51-1
0.579
MAT-POS-e194df51-2
0.579
PET-UNK-19e211a9-2
0.579
MAT-POS-bfd29aac-2
0.579
JOH-UNI-2440d4f3-3
0.573
JOH-UNI-3267ef54-1
0.570
MAT-POS-81ae2990-9
0.569
JOH-UNI-3267ef54-3
0.569
MAT-POS-b4d6b7fc-9
0.569
JOH-UNI-3267ef54-2
0.565
JOH-UNI-7e3f498e-3
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JOH-UNI-7e3f498e-2
0.564
EDJ-MED-378a25ea-6
0.561
PET-UNK-19e211a9-4
0.560
EDJ-MED-378a25ea-12
0.559
JOH-UNI-2440d4f3-2
0.555
PET-UNK-615ad708-4
0.555
PET-UNK-19e211a9-1
0.555
PET-UNK-19e211a9-3
0.555
PET-UNK-615ad708-1
0.555
MAT-POS-bfd29aac-1
0.555
MAT-POS-81ae2990-7
0.555
MAT-POS-b4d6b7fc-8
0.555
JOH-UNI-2440d4f3-1
0.554
EDJ-MED-378a25ea-10
0.554
MAT-POS-4223bc15-12
0.550
EDJ-MED-7889e8da-2
0.550
EDJ-MED-be9e6f63-2
0.550
MAT-POS-81ae2990-8
0.550
ALE-ALC-b4762a05-1
0.550
ALE-ALC-1b189c66-1
0.550
ALE-ALC-3d276b90-1
0.550
MAT-POS-13080fc6-1
0.549
EDJ-MED-be9e6f63-1
0.549
ALE-ALC-e1a61ec1-1
0.549
MAT-POS-5cd9ea36-7
0.548
MAT-POS-bf364d7a-11
0.548
MAT-POS-bf364d7a-12
0.548
EDJ-MED-343bb62d-4
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EDJ-MED-7889e8da-6
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EDJ-MED-378a25ea-9
0.545
MAT-POS-97ec4bd1-2
0.544
PET-UNK-19e211a9-9
0.544
PET-UNK-19e211a9-10
0.544
MAT-POS-2e8b2191-9
0.544
MAT-POS-e36d57d9-1
0.544
MAT-POS-78ab8081-6
0.544
EDJ-MED-378a25ea-26
0.544
EDJ-MED-378a25ea-18
0.544
EDJ-MED-378a25ea-4
0.543
EDJ-MED-378a25ea-20
0.543
MAT-POS-5cd9ea36-5
0.540
EDJ-MED-378a25ea-11
0.540
PET-UNK-19e211a9-8
0.539
MAT-POS-22373164-2
0.539
EDJ-MED-be9e6f63-3
0.535
MAT-POS-13080fc6-3
0.535
MAT-POS-c7726e07-7
0.535
MAT-POS-c7726e07-8
0.535
EDJ-MED-378a25ea-25
0.535
EDJ-MED-378a25ea-2
0.534
MAT-POS-78ab8081-4
0.534
EDJ-MED-378a25ea-24
0.534
EDJ-MED-378a25ea-22
0.534
EDJ-MED-378a25ea-1
0.530
EDJ-MED-378a25ea-21
0.530
MAT-POS-22373164-4
0.530
EDJ-MED-378a25ea-8
0.530
EDJ-MED-378a25ea-19
0.529
EDJ-MED-378a25ea-5
0.529
RAL-THA-5ed3c24e-1
0.526
PET-UNK-19e211a9-5
0.526
PET-UNK-19e211a9-6
0.526
PET-UNK-19e211a9-7
0.526
MAT-POS-5cd9ea36-6
0.526
EDJ-MED-4f4dd660-2
0.526
EDJ-MED-378a25ea-23
0.526
EDJ-MED-378a25ea-7
0.526
ALE-ALC-159be365-1
0.526
MAT-POS-bf364d7a-9
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MAT-POS-bf364d7a-10
0.526
MAT-POS-22373164-1
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EDJ-MED-378a25ea-17
0.525
EDJ-MED-378a25ea-28
0.525
EDJ-MED-378a25ea-16
0.525
ALP-POS-6f6ae286-4
0.522
EDJ-MED-4f4dd660-4
0.517
ALE-ALC-6d799671-1
0.517
PET-UNK-c6bcc80b-1
0.517
PET-UNK-c6bcc80b-8
0.517
ALE-ALC-40a91b97-1
0.517
MAT-POS-22373164-3
0.517
EDJ-MED-378a25ea-3
0.517
EDJ-MED-378a25ea-29
0.517