Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 464.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.522772359766522 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-10-07 |
EDJ-MED-c99b2211-2
1.000
EDJ-MED-015fb6b4-2
0.843
MAT-POS-acfe5bae-2
0.843
MAT-POS-a54ce14d-2
0.843
MAT-POS-a54ce14d-3
0.843
PET-UNK-f860268d-2
0.818
PET-UNK-f860268d-5
0.818
RAL-THA-a9c31980-1
0.806
LUO-POS-868e8996-4
0.806
LUO-POS-868e8996-3
0.806
JOH-UNI-6b98e24c-1
0.798
RAL-THA-a9c31980-3
0.798
EDJ-MED-43f8f7d6-3
0.798
RAL-THA-a9c31980-5
0.789
RAL-THA-5e0a6f1a-1
0.785
PET-UNK-c7ac4d9e-1
0.785
PET-UNK-c7ac4d9e-2
0.785
EDJ-MED-c99b2211-1
0.781
EDJ-MED-43f8f7d6-4
0.779
RAL-THA-a9c31980-8
0.773
EDJ-MED-e69ed63d-11
0.773
RAL-THA-a9c31980-6
0.771
RAL-THA-a9c31980-2
0.763
EDJ-MED-43f8f7d6-6
0.755
RAL-THA-a9c31980-9
0.747
EDJ-MED-c99b2211-4
0.740
EDJ-MED-e69ed63d-12
0.740
EDJ-MED-d165ed91-4
0.740
EDJ-MED-eb111c00-3
0.731
PET-UNK-4d432d33-2
0.731
PET-UNK-4d432d33-6
0.731
EDJ-MED-eb111c00-4
0.726
PET-UNK-4d432d33-1
0.723
PET-UNK-4d432d33-5
0.723
MIC-UNK-482af05e-4
0.716
ALP-POS-b3e0acc5-1
0.714
MIC-UNK-482af05e-3
0.708
EDJ-MED-eb111c00-2
0.704
EDJ-MED-c4e42105-2
0.695
MIC-UNK-91acba05-2
0.677
EDJ-MED-eb111c00-1
0.677
EDJ-MED-75baa495-2
0.676
EDJ-MED-0186a59b-6
0.673
LUO-POS-edefcc0e-1
0.673
LUO-POS-74179f4f-1
0.673
PET-UNK-37251634-6
0.670
PET-UNK-37251634-14
0.670
PET-UNK-37251634-5
0.663
PET-UNK-37251634-13
0.663
EDJ-MED-cc48ee33-6
0.663
PET-UNK-37251634-8
0.660
PET-UNK-37251634-1
0.660
PET-UNK-37251634-16
0.660
PET-UNK-37251634-9
0.660
MAT-POS-e119ab4f-1
0.657
EDJ-MED-0186a59b-5
0.657
MAT-POS-c7726e07-1
0.657
MAT-POS-c7726e07-2
0.657
LUO-POS-3f66b338-1
0.657
EDJ-MED-12c4873b-4
0.657
EDJ-MED-43f8f7d6-1
0.657
PET-UNK-37251634-3
0.654
PET-UNK-37251634-7
0.654
PET-UNK-37251634-12
0.654
PET-UNK-37251634-2
0.654
PET-UNK-37251634-10
0.654
PET-UNK-37251634-11
0.654
PET-UNK-37251634-4
0.654
PET-UNK-37251634-15
0.654
MAT-POS-c7726e07-4
0.653
MAT-POS-e119ab4f-2
0.653
MAT-POS-c7726e07-3
0.653
EDG-MED-e300b289-2
0.650
PET-UNK-d62a9a75-1
0.648
PET-UNK-d62a9a75-2
0.648
PET-UNK-d62a9a75-3
0.648
PET-UNK-d62a9a75-4
0.648
MAT-POS-97ec4bd1-4
0.644
MAT-POS-e2d70d27-1
0.644
EDJ-MED-0047eae5-1
0.643
MAT-POS-2e8b2191-12
0.638
EDJ-MED-0186a59b-7
0.638
DAR-DIA-9f765dc6-9
0.627
EDJ-MED-015fb6b4-3
0.627
DAR-DIA-9f765dc6-7
0.627
DAR-DIA-9f765dc6-8
0.627
MAT-POS-acfe5bae-3
0.624
EDJ-MED-e69ed63d-7
0.623
EDJ-MED-e69ed63d-13
0.620
EDJ-MED-ce467fd5-1
0.619
EDJ-MED-827e7cb4-3
0.619
DAR-DIA-9f765dc6-11
0.618
DAR-DIA-9f765dc6-12
0.618
EDJ-MED-0047eae5-2
0.618
DAR-DIA-9f765dc6-10
0.618
EDJ-MED-e69ed63d-1
0.617
EDG-MED-e300b289-1
0.615
JOH-UNI-6b98e24c-2
0.615
MAT-POS-b4d6b7fc-2
0.615
EDJ-MED-43f8f7d6-8
0.612