Molecular Properties | |
SMILES: | CC(Sc1nc2c(cc1C#N)CCCCC2)C(=O)O |
MW: | 276.09 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.98 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1877315947 |
MolPort: | MolPort-000-921-632 |
MAR-TRE-14ce9fd6-91
0.610
MAR-TRE-14ce9fd6-22
0.567
MAR-TRE-1c920f6f-56
0.556
MAR-TRE-1c920f6f-15
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MAR-TRE-14ce9fd6-19
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MAR-TRE-1c920f6f-11
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MAR-TRE-14ce9fd6-20
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MAR-TRE-1c920f6f-1
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MAR-TRE-14ce9fd6-96
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MAR-TRE-1c920f6f-17
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MAR-TRE-14ce9fd6-12
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MAR-TRE-14ce9fd6-79
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MAR-TRE-1c920f6f-58
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MAR-TRE-14ce9fd6-81
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MAR-TRE-14ce9fd6-14
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MAR-TRE-14ce9fd6-6
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MAR-TRE-14ce9fd6-11
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MAR-TRE-14ce9fd6-46
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MAR-TRE-14ce9fd6-42
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MAR-TRE-1c920f6f-38
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MAR-TRE-14ce9fd6-93
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MAR-TRE-14ce9fd6-76
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MAR-TRE-14ce9fd6-92
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MAR-TRE-14ce9fd6-75
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MAR-TRE-0fda4e82-13
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MAR-TRE-0fda4e82-36
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MAR-TRE-14ce9fd6-80
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MAR-TRE-14ce9fd6-7
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MAR-TRE-0fda4e82-68
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MAR-TRE-1c920f6f-19
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MAR-TRE-14ce9fd6-18
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MAR-TRE-14ce9fd6-90
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MAR-TRE-14ce9fd6-40
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MAR-TRE-1c920f6f-68
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MAR-TRE-1c920f6f-85
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MAR-TRE-1c920f6f-13
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MAR-TRE-1c920f6f-16
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MAR-TRE-6c5ef77a-27
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MAR-TRE-14ce9fd6-15
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MAR-TRE-14ce9fd6-70
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MAR-TRE-6c5ef77a-89
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MAR-TRE-6c5ef77a-48
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MAR-TRE-a3327163-24
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MAR-TRE-6c5ef77a-40
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MAR-TRE-0fda4e82-46
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DAR-DIA-0cde14eb-43
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MAR-TRE-6c5ef77a-31
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MAR-TRE-14ce9fd6-48
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MAR-TRE-14ce9fd6-86
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MAR-TRE-14ce9fd6-4
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MAT-POS-b5746674-18
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MAR-TRE-a3327163-37
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MAR-TRE-0fda4e82-82
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MAR-TRE-0fda4e82-6
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MAR-TRE-14ce9fd6-50
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MAR-TRE-1c920f6f-96
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MAT-POS-fa06b69f-2
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TAT-ENA-80bfd3e5-7
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DAR-DIA-0cde14eb-45
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DAR-DIA-0cde14eb-42
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MAR-TRE-6c5ef77a-71
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MAR-TRE-4f781e27-38
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MAR-TRE-6c5ef77a-72
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MAR-TRE-0fda4e82-33
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MAR-TRE-a3327163-21
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MAR-TRE-14ce9fd6-35
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MAR-TRE-a3327163-71
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MAR-TRE-3724962b-26
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DAR-DIA-0cde14eb-39
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UNK-CYC-68f84b31-75
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MAR-TRE-6c5ef77a-8
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MAR-TRE-0fda4e82-93
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MAR-TRE-6c5ef77a-86
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MAR-TRE-0fda4e82-12
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MAR-TRE-14ce9fd6-53
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ABI-SAT-aa268ad7-2
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MAR-TRE-85681e92-92
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MIK-ENA-5d9157e9-5
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MIK-ENA-5d9157e9-6
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ALP-POS-5fe48310-1
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DAR-DIA-0cde14eb-41
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MAR-TRE-1c920f6f-12
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MAR-TRE-14ce9fd6-83
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UNK-CYC-68f84b31-15
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MAR-TRE-a3327163-1
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MAR-TRE-4f781e27-98
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MAR-TRE-1c920f6f-4
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DAR-DIA-0cde14eb-37
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DAR-DIA-0cde14eb-33
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MAK-UNK-f983951f-8
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MAR-TRE-c317dd82-66
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MAR-TRE-fd17a9b8-23
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MAR-TRE-1c920f6f-10
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MAR-TRE-14ce9fd6-21
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