Molecular Properties | |
SMILES: | N#CCN1CC(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 424.05 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 86.09 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-c671f938-6
1.000
PET-UNK-c671f938-1
0.814
PET-UNK-c671f938-5
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EDJ-MED-41558c53-9
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PET-UNK-c671f938-7
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PET-UNK-c671f938-3
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PET-UNK-c671f938-4
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PET-UNK-c671f938-8
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PET-UNK-4d432d33-6
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PET-UNK-4d432d33-2
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EDJ-MED-41558c53-11
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EDJ-MED-0186a59b-6
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EDJ-MED-41558c53-13
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LUO-POS-edefcc0e-1
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LUO-POS-74179f4f-1
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PET-UNK-3324058f-2
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PET-UNK-3324058f-6
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EDG-MED-e300b289-1
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EDJ-MED-41558c53-7
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EDG-MED-e300b289-2
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EDJ-MED-41558c53-5
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EDG-MED-e300b289-3
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PET-UNK-4d432d33-5
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PET-UNK-4d432d33-1
0.681
EDJ-MED-41558c53-1
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EDJ-MED-41558c53-10
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EDJ-MED-41558c53-3
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EDJ-MED-0186a59b-5
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MAT-POS-c7726e07-2
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MAT-POS-e119ab4f-1
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MAT-POS-c7726e07-1
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EDJ-MED-e69ed63d-7
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EDJ-MED-e69ed63d-17
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EDJ-MED-41558c53-12
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PET-UNK-f860268d-2
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PET-UNK-f860268d-5
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EDJ-MED-41558c53-8
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EDJ-MED-eb111c00-3
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MAT-POS-2e8b2191-12
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EDJ-MED-0186a59b-7
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EDJ-MED-e69ed63d-11
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MIC-UNK-482af05e-3
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EDJ-MED-e69ed63d-13
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EDJ-MED-e69ed63d-15
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EDJ-MED-e69ed63d-6
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EDJ-MED-e69ed63d-8
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EDJ-MED-e69ed63d-1
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EDJ-MED-e69ed63d-3
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EDJ-MED-41558c53-14
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PET-UNK-3324058f-5
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MAT-POS-b4d6b7fc-2
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PET-UNK-3324058f-1
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MIC-UNK-482af05e-4
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EDJ-MED-c99b2211-4
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EDJ-MED-e69ed63d-12
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EDJ-MED-d165ed91-4
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RAL-THA-5e0a6f1a-1
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EDJ-MED-e69ed63d-18
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MAT-POS-a54ce14d-2
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MAT-POS-a54ce14d-3
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MAT-POS-acfe5bae-2
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EDJ-MED-eb111c00-4
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EDJ-MED-015fb6b4-2
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EDJ-MED-e69ed63d-9
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EDJ-MED-eb111c00-2
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EDJ-MED-e69ed63d-16
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PET-UNK-3324058f-3
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PET-UNK-3324058f-7
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EDJ-MED-e69ed63d-14
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EDJ-MED-e69ed63d-2
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ALP-POS-b3e0acc5-1
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LUO-POS-868e8996-3
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LUO-POS-868e8996-4
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RAL-THA-a9c31980-1
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EDJ-MED-e69ed63d-5
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EDJ-MED-d165ed91-3
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EDJ-MED-e69ed63d-4
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MAT-POS-b4d6b7fc-4
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PET-UNK-c7ac4d9e-2
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PET-UNK-c7ac4d9e-1
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PET-UNK-3324058f-4
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PET-UNK-3324058f-8
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RAL-THA-a9c31980-8
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EDJ-MED-43f8f7d6-6
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EDJ-MED-c99b2211-3
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EDJ-MED-41558c53-6
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RAL-THA-a9c31980-5
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RAL-THA-a9c31980-6
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EDJ-MED-e69ed63d-10
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RAL-THA-a9c31980-4
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EDJ-MED-c99b2211-2
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RAL-THA-a9c31980-3
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EDJ-MED-43f8f7d6-3
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EDJ-MED-43f8f7d6-4
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JOH-UNI-6b98e24c-1
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PET-UNK-37251634-4
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PET-UNK-37251634-11
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PET-UNK-37251634-12
0.552
PET-UNK-37251634-3
0.552
PET-UNK-37251634-5
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