Molecular Properties | |
SMILES: | CN(C)C(=O)c1cc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2s1 |
MW: | 415.08 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 71.53 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.399179129532584 |
Order Status | |
Ordered: | 2021-07-06 |
Synthesis Location: | enamine |
Shipped: | 2021-07-21 |
TET-ENA-1a76f195-1
MAT-POS-ee5e8e94-2
1.000
MAT-POS-acfe5bae-5
0.810
MAT-POS-14f31916-2
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MAT-POS-14f31916-3
0.802
TET-ENA-1a76f195-1
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MAT-POS-14f31916-1
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MAT-POS-d8472c4f-6
0.736
MAT-POS-14f31916-5
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MAT-POS-8040981b-1
0.727
MAT-POS-ee5e8e94-1
0.722
MAT-POS-a2421bb6-3
0.700
PET-UNK-b1ef24dc-8
0.652
PET-UNK-7f7e354d-1
0.637
ALF-EVA-5b152d2f-2
0.613
EDJ-MED-ba7e64f2-1
0.609
BEN-DND-c852c98b-4
0.609
PET-UNK-ee8352fa-4
0.600
PET-UNK-f4e47ebd-3
0.598
PET-UNK-b1ef24dc-7
0.598
MAT-POS-b3e365b9-2
0.598
VLA-UCB-1dbca3b4-15
0.598
MAT-POS-f7918075-1
0.598
BEN-DND-4f474d93-3
0.598
ALP-POS-ce760d3f-2
0.598
MAT-POS-b3e365b9-1
0.598
BEN-DND-4f474d93-1
0.598
ADA-UCB-dc2b944c-8
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PET-UNK-03fd2068-1
0.596
RUB-POS-1325a9ea-10
0.594
ALP-POS-696356e4-1
0.591
ALP-POS-ce760d3f-7
0.591
EDG-MED-5d232de5-1
0.591
BEN-DND-4f474d93-2
0.591
PET-UNK-b38839dc-3
0.591
ALP-POS-ce760d3f-3
0.591
EDG-MED-5d232de5-2
0.591
WIL-UCB-7ba4ac3a-1
0.589
MAK-UNK-8be7dca9-7
0.589
PET-UNK-ee8352fa-5
0.588
PET-UNK-ee8352fa-6
0.588
MIC-UNK-b904ca85-2
0.585
MAT-POS-f9802937-7
0.583
ERI-UCB-8d4e5055-4
0.583
MAT-POS-14f31916-4
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BEN-DND-c852c98b-5
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BEN-DND-c852c98b-3
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MAK-UNK-f481d203-1
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MAK-UNK-919546f0-1
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MAK-UNK-f481d203-2
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PET-UNK-f4e47ebd-4
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MAK-UNK-8be7dca9-9
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BRU-CON-c4e3408a-1
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MAT-POS-b3e365b9-3
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MAT-POS-b3e365b9-4
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DAR-DIA-6a508060-6
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JAN-GHE-f4ca5a00-13
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MAT-POS-7ddaf7de-2
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ERI-UCB-8d4e5055-3
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MAT-POS-afb6844f-2
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RAL-THA-b9d6aec1-1
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RAL-THA-b9d6aec1-2
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MAT-POS-7ddaf7de-4
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MAT-POS-afb6844f-1
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MAT-POS-1ecf5680-1
0.570
ALP-POS-82da25a3-1
0.567
ALP-POS-82da25a3-2
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MAT-POS-8293a91a-3
0.567
PET-UNK-b38839dc-5
0.566
TET-ENA-382364b7-1
0.566
MAT-POS-afb6844f-3
0.564
PET-UNK-6314f867-1
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MAK-UNK-8be7dca9-5
0.561
BEN-DND-c852c98b-1
0.561
BEN-DND-c852c98b-7
0.561
PET-UNK-b38839dc-4
0.560
MAT-POS-419aafdb-1
0.559
MAK-UNK-8be7dca9-6
0.556
NAU-LAT-b7d8c353-8
0.556
ALF-EVA-5b152d2f-7
0.556
RAL-THA-b9d6aec1-3
0.556
MAK-UNK-8be7dca9-8
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ALF-EVA-5b152d2f-5
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JAG-UCB-571deb56-5
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MAK-UNK-8be7dca9-2
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ALF-EVA-5b152d2f-8
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BEN-DND-c852c98b-6
0.550
JAG-UCB-571deb56-2
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LON-WEI-0a73fcb8-7
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EDJ-MED-e9694d2b-1
0.548
ERI-UCB-9c7ec71b-2
0.548
MIC-UNK-7574fcc6-2
0.547
ALF-EVA-ced740bd-1
0.545
BEN-DND-c852c98b-2
0.545
JAG-UCB-571deb56-1
0.543
EDJ-MED-51d3200d-4
0.543
JOH-SUS-a69c159d-1
0.542
ADA-UCB-dc2b944c-12
0.542
JOH-SUS-a69c159d-5
0.541
BEN-DND-a7517465-1
0.541
MIC-UNK-b904ca85-1
0.540