Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(CCN(c4cncc5cc(S(C)(=O)=O)ccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 552.12 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 116.75 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.264725262374338 |
Order Status | |
Ordered: | 2021-11-12 |
Synthesis Location: | enamine |
Shipped: | 2021-12-13 |
EDJ-MED-33064c06-7
1.000
LUO-POS-e1dab717-10
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EDJ-MED-7d88f880-2
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MAT-POS-576f7758-2
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EDJ-MED-976a33d5-1
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LUO-POS-e1dab717-2
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MAT-POS-e48723dc-1
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MAT-POS-e48723dc-2
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LUO-POS-e1dab717-4
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ALP-POS-c3a90b22-1
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EDJ-MED-98c0a822-3
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EDJ-MED-b6c6ee2b-7
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EDJ-MED-5cd3920d-3
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EDJ-MED-5cd3920d-4
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LUO-POS-e1dab717-6
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LUO-POS-e1dab717-9
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EDJ-MED-33064c06-11
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ALP-POS-c3a90b22-9
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PET-UNK-14142a25-3
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LUO-POS-e1dab717-14
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PET-UNK-14142a25-12
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EDJ-MED-33064c06-13
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ALP-POS-c3a90b22-3
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EDJ-MED-98c0a822-4
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EDJ-MED-7d88f880-1
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EDJ-MED-4138fde9-5
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EDJ-MED-9f4ac58c-8
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EDJ-MED-9f4ac58c-4
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LUO-POS-e1dab717-8
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EDJ-MED-d4864bdc-2
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EDJ-MED-dfa1d800-1
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EDJ-MED-dfa1d800-5
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EDJ-MED-59d5ca70-1
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EDJ-MED-dfa1d800-4
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EDJ-MED-dfa1d800-2
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EDJ-MED-4138fde9-6
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EDG-MED-b1ef7fe3-4
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EDJ-MED-dfa1d800-3
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MAT-POS-853c0ffa-22
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EDG-MED-b1ef7fe3-3
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PET-UNK-4c71d490-4
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PET-UNK-4c71d490-8
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EDJ-MED-7d88f880-3
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EDJ-MED-94fddcec-5
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PET-UNK-14142a25-10
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LUO-POS-9931618f-1
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LUO-POS-9931618f-2
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PET-UNK-c6bcc80b-6
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PET-UNK-c6bcc80b-13
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PET-UNK-4c71d490-2
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PET-UNK-4c71d490-6
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EDJ-MED-9f4ac58c-1
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EDJ-MED-9f4ac58c-3
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PET-UNK-14142a25-9
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PET-UNK-14142a25-18
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PET-UNK-14142a25-7
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PET-UNK-14142a25-16
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LUO-POS-8c3e556a-1
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EDG-MED-b1ef7fe3-1
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LUO-POS-8c3e556a-2
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PET-UNK-14142a25-5
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PET-UNK-14142a25-14
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JOH-MSK-4bb3d434-1
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EDJ-MED-b6c6ee2b-6
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EDG-MED-b1ef7fe3-2
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EDJ-MED-976a33d5-3
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MAT-POS-b4d6b7fc-7
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EDJ-MED-33064c06-5
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EDJ-MED-7e491f08-2
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EDJ-MED-33064c06-3
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MAT-POS-38eb6498-6
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MAT-POS-ddfe83c6-1
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EDJ-MED-40e596c8-5
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PET-UNK-14142a25-2
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PET-UNK-14142a25-11
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EDJ-MED-33064c06-1
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EDJ-MED-33064c06-12
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EDJ-MED-33064c06-2
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EDJ-MED-33064c06-18
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ALP-POS-ecbed2ba-7
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MAT-POS-69786b79-1
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MAT-POS-576f7758-1
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LUO-POS-e1dab717-1
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MAT-POS-566864e2-3
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MAT-POS-566864e2-4
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EDJ-MED-40e596c8-4
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EDJ-MED-33064c06-10
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EDJ-MED-4cb9dd84-1
0.453
EDJ-MED-33064c06-8
0.453
PET-UNK-37c7074c-2
0.452