Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C)(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 436.13 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.170857533250647 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
MAT-POS-853c0ffa-2
1.000
LUO-POS-868e8996-5
1.000
LUO-POS-868e8996-6
1.000
ALP-POS-e266d783-1
1.000
RAL-THA-a9c31980-7
0.848
MAT-POS-a334828f-3
0.798
PET-UNK-7955f415-1
0.697
PET-UNK-7955f415-3
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EDJ-MED-015fb6b4-1
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PET-UNK-7955f415-2
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PET-UNK-7955f415-4
0.683
MAT-POS-a334828f-1
0.673
MAT-POS-853c0ffa-3
0.673
MAT-POS-a334828f-2
0.660
MAT-POS-853c0ffa-4
0.660
MAT-POS-89bd6af1-3
0.622
MAT-UNK-28cf4d29-1
0.622
ALP-POS-e266d783-2
0.622
MIK-ENA-e76e31f3-1
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MAT-POS-e119ab4f-5
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LUO-POS-868e8996-1
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MIK-ENA-d22671f7-1
0.587
MIK-ENA-f5fe7855-1
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LUO-POS-868e8996-2
0.587
MAT-POS-2e8b2191-5
0.582
MIC-UNK-e8d6fb58-2
0.575
RAL-THA-176e263b-4
0.570
MAT-POS-22e8b45a-2
0.570
MAT-POS-83f73d0a-3
0.554
EDJ-MED-8bb691af-8
0.551
PET-UNK-14142a25-10
0.551
LUO-POS-9931618f-1
0.551
PET-UNK-14142a25-1
0.551
MIK-ENA-37e0b697-1
0.551
MIK-ENA-794411b8-1
0.551
LUO-POS-9931618f-2
0.551
DAR-DIA-9f765dc6-14
0.550
DAR-DIA-9f765dc6-15
0.550
DAR-DIA-9f765dc6-13
0.550
DAR-DIA-9f765dc6-17
0.541
PET-UNK-4d432d33-3
0.541
PET-UNK-4d432d33-7
0.541
PET-UNK-4d432d33-8
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PET-UNK-4d432d33-4
0.541
DAR-DIA-9f765dc6-16
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DAR-DIA-9f765dc6-18
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JOH-UNI-06d7cc04-1
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EDJ-MED-015fb6b4-2
0.538
MAT-POS-acfe5bae-2
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MAT-POS-a54ce14d-3
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MAT-POS-a54ce14d-2
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PET-UNK-407a74a5-4
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PET-UNK-14142a25-2
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PET-UNK-14142a25-11
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MAT-POS-83f73d0a-4
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EDJ-MED-ce467fd5-3
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MAT-POS-c88128cb-6
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PET-UNK-ad758083-4
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PET-UNK-f360ae44-1
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PET-UNK-f360ae44-8
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PET-UNK-f360ae44-9
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PET-UNK-f360ae44-16
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LUO-POS-66f38ea0-1
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MAT-POS-c88128cb-5
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PET-UNK-5ad1c31a-5
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PET-UNK-5ad1c31a-11
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LUO-POS-868e8996-8
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LUO-POS-868e8996-7
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MAT-POS-1bed62cf-2
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MIC-UNK-eb20c3e1-2
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PET-UNK-4c71d490-3
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PET-UNK-4c71d490-7
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PET-UNK-f360ae44-13
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PET-UNK-f360ae44-5
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MAT-POS-89bd6af1-4
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MAT-POS-83a7b0a0-1
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EDJ-MED-b1cef252-1
0.514
PET-UNK-14142a25-4
0.513
PET-UNK-14142a25-13
0.513
PET-UNK-757f8bc8-8
0.509
MAT-POS-c88128cb-4
0.509
EDJ-MED-8bb691af-7
0.509
PET-UNK-0d6841fa-4
0.509
PET-UNK-f360ae44-6
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PET-UNK-f360ae44-14
0.509
PET-UNK-f360ae44-15
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PET-UNK-f360ae44-7
0.509
PET-UNK-5ad1c31a-6
0.505
PET-UNK-5ad1c31a-12
0.505
VLA-UNK-61877630-2
0.505
EDJ-MED-fd8ed875-3
0.504
EDJ-MED-a12e3a20-2
0.504
PET-UNK-757f8bc8-5
0.504
PET-UNK-f360ae44-3
0.504
PET-UNK-f360ae44-4
0.504
PET-UNK-f360ae44-11
0.504
PET-UNK-f360ae44-12
0.504
PET-UNK-757f8bc8-7
0.500
PET-UNK-f360ae44-2
0.500
PET-UNK-f360ae44-10
0.500