Molecular Properties | |
SMILES: | COc1ccc2cncc(NC(=O)C3CCNc4cc(Cl)c(Cl)cc43)c2c1 |
MW: | 401.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 63.25 |
cLogP: | 5.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.13077028443033 |
Order Status | |
Shipped: | 2021-03-24 |
MAT-POS-96f51285-6
1.000
MAT-POS-ec6d90b7-6
1.000
EDJ-MED-611d11e7-5
0.724
MAT-POS-ec6d90b7-5
0.724
ALP-UNI-8d415491-6
0.724
ALF-EVA-b701bd13-1
0.719
ALP-UNI-8d415491-5
0.711
EDJ-MED-611d11e7-2
0.711
ALF-EVA-82cf4849-10
0.692
MAT-POS-78e1d523-5
0.670
EDJ-MED-611d11e7-11
0.670
MAT-POS-f9802937-8
0.670
ALP-UNI-3735e77e-4
0.670
MAT-POS-78e1d523-6
0.670
MAT-POS-f9802937-9
0.670
ALP-UNI-8d415491-4
0.670
ALP-UNI-8d415491-3
0.667
BEN-DND-f06bfa8e-6
0.644
ALF-EVA-82cf4849-6
0.634
ALF-EVA-82cf4849-9
0.629
ALF-EVA-b701bd13-2
0.628
BEN-DND-f06bfa8e-1
0.606
ALF-EVA-82cf4849-7
0.594
EDJ-MED-611d11e7-9
0.566
MAT-POS-96f51285-3
0.566
ALF-EVA-b701bd13-5
0.552
ALF-EVA-82cf4849-1
0.552
MAT-POS-f9802937-7
0.551
EDJ-MED-1b5395f9-1
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EDJ-MED-1b5395f9-3
0.549
EDJ-MED-1b5395f9-2
0.549
EDJ-MED-ee742daa-2
0.543
ALP-POS-fe871b40-10
0.531
ALP-UNI-ba800595-2
0.531
ALP-UNI-8d415491-1
0.527
ALF-EVA-82cf4849-2
0.520
ALP-POS-f1807566-2
0.520
PET-UNK-fe31e24a-1
0.520
BEN-DND-d1eb1f41-10
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MAT-POS-86c60949-2
0.505
DAR-DIA-06c53477-3
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ALP-UNI-8d415491-2
0.495
DAR-DIA-06c53477-2
0.495
DAR-DIA-06c53477-1
0.495
PET-UNK-fe31e24a-5
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BEN-DND-d1eb1f41-3
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ALF-EVA-b701bd13-4
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ALP-POS-477dc5b7-2
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MIC-UNK-91acba05-5
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EDJ-MED-92e193ae-2
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EDJ-MED-92e193ae-1
0.465
ERI-UCB-b3e6b0c2-8
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ALF-EVA-b701bd13-6
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ALF-EVA-0b412456-2
0.450
ROB-UNI-6ee2df8c-1
0.441
ALF-EVA-b701bd13-3
0.437
PET-UNK-19e211a9-9
0.433
PET-UNK-8df914d1-1
0.429
EDJ-MED-00c1612e-1
0.429
BEN-DND-02317c5c-5
0.427
MAT-POS-500f4700-2
0.427
ALF-EVA-82cf4849-5
0.425
RAL-THA-05e671eb-8
0.425
BEN-DND-c852c98b-6
0.422
VLA-UNK-8e76d113-2
0.421
BEN-DND-c852c98b-2
0.418
VLA-UNK-56836b69-4
0.417
ALP-POS-ce760d3f-6
0.417
ALP-UNI-ba800595-1
0.413
DAV-ILL-edda7d6f-1
0.413
RAL-THA-05e671eb-14
0.411
ERI-UCB-b3e6b0c2-7
0.411
PET-UNK-fe31e24a-3
0.411
EDJ-MED-ba7e64f2-1
0.410
MIC-UNK-8758c41d-3
0.410
PET-UNK-b1ef24dc-11
0.410
BEN-DND-c852c98b-4
0.410
VLA-UNK-56836b69-1
0.410
ALP-POS-fe871b40-16
0.410
VLA-UNK-8e76d113-1
0.409
DAR-DIA-0587064e-18
0.409
ALP-POS-fe871b40-6
0.406
ROB-UNI-611831f5-2
0.406
PET-UNK-b1ef24dc-12
0.406
RYA-UNI-6d7114fd-1
0.404
RAL-THA-05e671eb-2
0.404
ALP-POS-869ac754-1
0.404
ERI-UCB-b3e6b0c2-9
0.404
MAT-POS-96f51285-5
0.402
EDJ-MED-611d11e7-6
0.402
MAT-POS-ec6d90b7-7
0.402
PET-UNK-7f7e354d-2
0.402
MIC-UNK-8758c41d-1
0.400
DAR-DIA-0587064e-13
0.398
FRA-DIA-b66f7109-4
0.398
PET-UNK-f4e47ebd-7
0.398
MAT-POS-96f51285-4
0.396
EDJ-MED-611d11e7-3
0.396
DAR-DIA-0587064e-16
0.391
BEN-DND-a02b439d-10
0.391