Molecule Details
| Molecular Properties | |
| SMILES: | CNCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 381.12 |
| Fraction sp3: | 0.24 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 63.25 |
| cLogP: | 3.77 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 10.495939498078 |
| Order Status | |
| Ordered: | 2021-03-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-05-06 |
MAT-POS-45b13633-2
1.000
MAT-POS-e6dd326d-12
0.839
EDJ-MED-f893e2a1-8
0.837
MAT-POS-e6dd326d-4
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MAT-POS-e6dd326d-9
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MAT-POS-e6dd326d-6
0.830
EDJ-MED-424a8a89-2
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MAT-POS-e6dd326d-5
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MAT-POS-e6dd326d-11
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MAT-POS-e6dd326d-8
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MAT-POS-e6dd326d-13
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EDJ-MED-15e90dfc-3
0.791
EDJ-MED-424a8a89-1
0.791
MAT-POS-e6dd326d-10
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EDG-MED-971238d3-2
0.788
MAT-POS-9db1e783-2
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EDJ-MED-4c7486ba-1
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EDJ-MED-4c7486ba-4
0.783
EDG-MED-70ae9412-2
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EDJ-MED-15e90dfc-7
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MAT-POS-e6dd326d-7
0.783
EDG-MED-971238d3-3
0.782
RAL-THA-58fba2bc-3
0.782
MAT-POS-2bb0cf2b-1
0.779
MAT-POS-e6dd326d-1
0.779
EDG-MED-971238d3-5
0.779
MAT-POS-45b13633-1
0.779
MAT-POS-f9802937-5
0.775
MAT-POS-5d65ec79-2
0.775
MAT-POS-f9802937-6
0.775
MAT-POS-e6dd326d-3
0.773
MAT-POS-45b13633-3
0.773
EDJ-MED-40433386-10
0.772
DAR-DIA-ecdbc7dd-16
0.772
EDJ-MED-8c98ee63-1
0.766
RAL-THA-e002e396-1
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RAL-THA-e002e396-2
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RAL-THA-e002e396-11
0.764
EDJ-MED-f893e2a1-3
0.763
EDG-MED-971238d3-6
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EDG-MED-971238d3-10
0.761
RAL-THA-58fba2bc-1
0.761
MAT-POS-45b13633-4
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EDG-MED-971238d3-9
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JAG-UCB-706446eb-3
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RAL-THA-e002e396-5
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EDJ-MED-f893e2a1-9
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EDJ-MED-40433386-4
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EDJ-MED-15e90dfc-5
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DAR-DIA-ecdbc7dd-13
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EDJ-MED-f893e2a1-10
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EDJ-MED-15e90dfc-2
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MAT-POS-5d65ec79-1
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MAT-POS-f9802937-4
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MAT-POS-f9802937-3
0.747
EDJ-MED-28ec730d-2
0.747
MAT-POS-45b13633-5
0.747
MAT-POS-e6dd326d-14
0.742
EDJ-MED-40433386-3
0.740
EDJ-MED-4c7486ba-9
0.740
EDJ-MED-4c7486ba-12
0.740
MAT-POS-3b97339c-1
0.740
EDJ-MED-40433386-7
0.740
RAL-THA-e002e396-12
0.739
ALP-POS-477dc5b7-3
0.739
EDG-MED-971238d3-8
0.736
DAR-DIA-ecdbc7dd-4
0.736
EDG-MED-971238d3-7
0.736
RAL-THA-e002e396-6
0.736
DAR-DIA-6a508060-13
0.734
EDJ-MED-40433386-5
0.732
EDJ-MED-f893e2a1-4
0.732
RAL-THA-e002e396-7
0.731
EDJ-MED-f893e2a1-6
0.727
EDJ-MED-8c98ee63-2
0.727
EDJ-MED-40433386-8
0.727
ALP-POS-9c80c481-1
0.726
EDJ-MED-f893e2a1-2
0.724
EDJ-MED-15e90dfc-1
0.724
EDJ-MED-15e90dfc-4
0.724
EDJ-MED-f893e2a1-1
0.724
RAL-THA-e002e396-8
0.723
EDJ-MED-28ec730d-1
0.723
DAR-DIA-ecdbc7dd-3
0.720
JAG-UCB-706446eb-2
0.716
JAG-UCB-706446eb-4
0.716
KAD-UNI-8a629cb0-41
0.713
ALP-UNI-0676e700-19
0.713
ALP-UNI-0676e700-11
0.713
EDJ-MED-f893e2a1-7
0.710
KAD-UNI-b13decd3-3
0.710
MAT-POS-61f37a1a-3
0.710
KAD-UNI-cb0f2bbc-22
0.710
EDJ-MED-15e90dfc-6
0.710
MAT-POS-24589f88-12
0.710
DAR-DIA-ecdbc7dd-18
0.708
DAR-DIA-ecdbc7dd-2
0.708
ALP-UNI-0676e700-3
0.706
DAR-DIA-ecdbc7dd-5
0.705
RAL-THA-e002e396-13
0.705