Molecular Properties | |
SMILES: | N#CCN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 416.1 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 77.3 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-aa57768f-2
1.000
PET-UNK-aa57768f-9
0.862
PET-UNK-aa57768f-3
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PET-UNK-aa57768f-11
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PET-UNK-aa57768f-5
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LUO-POS-9931618f-2
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PET-UNK-14142a25-1
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PET-UNK-14142a25-10
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EDJ-MED-8bb691af-8
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LUO-POS-9931618f-1
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MIK-ENA-37e0b697-1
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MIK-ENA-794411b8-1
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EDJ-MED-33064c06-15
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PET-UNK-6af7266d-3
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PET-UNK-6af7266d-1
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ALP-POS-c3a90b22-8
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JOH-MSK-4bb3d434-1
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PET-UNK-aa57768f-6
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PET-UNK-aa57768f-12
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PET-UNK-aa57768f-7
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PET-UNK-aa57768f-1
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EDJ-MED-0d144977-2
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EDJ-MED-33064c06-17
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PET-UNK-37c7074c-1
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PET-UNK-37c7074c-3
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PET-UNK-37c7074c-2
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PET-UNK-37c7074c-4
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EDJ-MED-0d144977-3
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EDJ-MED-33064c06-8
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EDJ-MED-cc48ee33-7
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ALP-POS-c3a90b22-5
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EDJ-MED-33064c06-2
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EDJ-MED-33064c06-18
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EDJ-MED-33064c06-14
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EDJ-MED-0d144977-1
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EDJ-MED-4cb9dd84-1
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EDJ-MED-40e596c8-5
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PET-UNK-626a1084-3
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PET-UNK-626a1084-1
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EDJ-MED-3af0740c-1
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EDJ-MED-33064c06-1
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EDJ-MED-0d144977-5
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EDJ-MED-9f4ac58c-2
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EDJ-MED-0d144977-4
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EDJ-MED-33064c06-5
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EDJ-MED-33064c06-12
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EDJ-MED-33064c06-3
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EDJ-MED-33064c06-10
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ALP-POS-c3a90b22-11
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EDJ-MED-40e596c8-4
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EDJ-MED-33064c06-4
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EDJ-MED-33064c06-9
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ALP-POS-c3a90b22-12
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EDJ-MED-33064c06-6
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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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MAT-POS-576f7758-2
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PET-UNK-14142a25-2
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PET-UNK-14142a25-11
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ALP-POS-c3a90b22-1
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EDJ-MED-98c0a822-3
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PET-UNK-aa57768f-4
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PET-UNK-aa57768f-10
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EDJ-MED-33064c06-13
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EDJ-MED-98c0a822-4
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EDJ-MED-cc48ee33-2
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ALP-POS-c3a90b22-3
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EDJ-MED-59d5ca70-1
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VLA-UNK-8e615992-2
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VLA-UNK-61877630-5
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LUO-POS-8c3e556a-1
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EDG-MED-b1ef7fe3-1
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EDG-MED-b1ef7fe3-4
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LUO-POS-8c3e556a-2
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PET-UNK-626a1084-2
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PET-UNK-626a1084-4
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EDJ-MED-33064c06-11
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ALP-POS-c3a90b22-9
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ALP-POS-ecbed2ba-14
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EDJ-MED-accc2c4d-3
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EDG-MED-b1ef7fe3-2
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EDJ-MED-b6c6ee2b-6
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ALP-POS-ecbed2ba-17
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ALP-POS-afe0272e-2
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JAG-UCB-f37eaa14-5
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EDJ-MED-accc2c4d-1
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EDG-MED-b1ef7fe3-3
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LUO-POS-e1dab717-19
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JAG-UCB-f37eaa14-4
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VLA-UNK-8e615992-1
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VLA-UNK-61877630-4
0.570
PET-UNK-7e9559de-1
0.569
MAT-POS-38eb6498-6
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PET-UNK-7e9559de-4
0.569
MAT-POS-96396902-1
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EDJ-MED-accc2c4d-2
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EDJ-MED-7587a9ee-3
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