Molecular Properties | |
SMILES: | CCCNC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 450.15 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 91.4 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.130267440981419 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-10-07 |
Long aliphatic chain
RAL-THA-a9c31980-1
0.868
LUO-POS-868e8996-4
0.868
LUO-POS-868e8996-3
0.868
MAT-POS-a54ce14d-3
0.824
EDJ-MED-015fb6b4-2
0.824
MAT-POS-acfe5bae-2
0.824
MAT-POS-a54ce14d-2
0.824
RAL-THA-a9c31980-6
0.811
PET-UNK-f860268d-5
0.800
PET-UNK-f860268d-2
0.800
RAL-THA-a9c31980-8
0.794
RAL-THA-a9c31980-4
0.789
EDJ-MED-c99b2211-2
0.789
EDJ-MED-e69ed63d-13
0.788
RAL-THA-a9c31980-9
0.786
RAL-THA-a9c31980-3
0.781
JOH-UNI-6b98e24c-1
0.781
EDJ-MED-43f8f7d6-3
0.781
PET-UNK-c7ac4d9e-2
0.768
RAL-THA-5e0a6f1a-1
0.768
PET-UNK-c7ac4d9e-1
0.768
EDJ-MED-c99b2211-1
0.765
EDJ-MED-43f8f7d6-4
0.763
EDJ-MED-e69ed63d-14
0.748
RAL-THA-a9c31980-2
0.747
EDJ-MED-43f8f7d6-6
0.740
PET-UNK-4d432d33-2
0.716
EDJ-MED-eb111c00-3
0.716
PET-UNK-4d432d33-6
0.716
MIC-UNK-482af05e-3
0.711
EDJ-MED-eb111c00-4
0.711
PET-UNK-4d432d33-5
0.708
PET-UNK-4d432d33-1
0.708
MIC-UNK-482af05e-4
0.701
EDG-MED-e300b289-1
0.700
ALP-POS-b3e0acc5-1
0.700
EDJ-MED-eb111c00-2
0.690
EDJ-MED-0186a59b-6
0.677
LUO-POS-edefcc0e-1
0.677
LUO-POS-74179f4f-1
0.677
EDJ-MED-e69ed63d-7
0.673
EDG-MED-e300b289-2
0.670
MIC-UNK-91acba05-2
0.663
EDJ-MED-eb111c00-1
0.663
EDJ-MED-cc48ee33-6
0.651
PET-UNK-37251634-1
0.648
PET-UNK-37251634-16
0.648
PET-UNK-37251634-8
0.648
PET-UNK-37251634-9
0.648
MAT-POS-e119ab4f-1
0.644
MAT-POS-c7726e07-1
0.644
MAT-POS-c7726e07-2
0.644
EDJ-MED-0186a59b-5
0.644
PET-UNK-37251634-6
0.642
PET-UNK-37251634-12
0.642
PET-UNK-37251634-2
0.642
PET-UNK-37251634-4
0.642
PET-UNK-37251634-7
0.642
PET-UNK-37251634-11
0.642
PET-UNK-37251634-15
0.642
PET-UNK-37251634-10
0.642
PET-UNK-37251634-3
0.642
PET-UNK-37251634-14
0.642
MAT-POS-c7726e07-4
0.641
MAT-POS-c7726e07-3
0.641
MAT-POS-e119ab4f-2
0.641
EDJ-MED-e69ed63d-8
0.639
EDJ-MED-e69ed63d-15
0.639
PET-UNK-d62a9a75-3
0.636
PET-UNK-37251634-5
0.636
PET-UNK-d62a9a75-2
0.636
PET-UNK-d62a9a75-4
0.636
PET-UNK-d62a9a75-1
0.636
PET-UNK-37251634-13
0.636
EDG-MED-e300b289-3
0.632
EDJ-MED-43f8f7d6-7
0.631
EDJ-MED-12c4873b-6
0.631
RAL-THA-8f106089-3
0.631
RAL-THA-8f106089-4
0.631
EDJ-MED-0047eae5-1
0.630
EDJ-MED-e69ed63d-17
0.624
EDJ-MED-e69ed63d-16
0.622
EDJ-MED-12c4873b-8
0.615
EDJ-MED-43f8f7d6-8
0.615
RAL-THA-8f106089-1
0.615
RAL-THA-8f106089-2
0.615
LUO-POS-3f66b338-1
0.612
MAT-POS-acfe5bae-3
0.612
EDJ-MED-43f8f7d6-1
0.612
EDJ-MED-12c4873b-4
0.612
MAT-POS-2e8b2191-12
0.611
EDJ-MED-0186a59b-7
0.611
EDJ-MED-e69ed63d-11
0.611
EDJ-MED-ce467fd5-1
0.607
EDJ-MED-827e7cb4-3
0.607
EDJ-MED-0047eae5-2
0.606
EDJ-MED-e69ed63d-1
0.606
LUO-POS-8701f4c8-1
0.604
EDJ-MED-12c4873b-2
0.604
EDJ-MED-43f8f7d6-2
0.604