Molecular Properties | |
SMILES: | CCc1nc(C)c(CC(=O)NC(c2cccnc2)c2ccc(C)c(C)c2)c(=O)[nH]1 |
MW: | 390.21 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 87.74 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2369560676 |
MolPort: | MolPort-044-706-666 |
MAR-TRE-c8530538-90
0.518
MAR-TRE-c8530538-63
0.410
MAR-TRE-c8530538-31
0.388
MAR-TRE-c8530538-66
0.385
MAR-TRE-c8530538-32
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MAR-TRE-c8530538-89
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MAR-TRE-4f781e27-20
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MAR-TRE-4f781e27-68
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MAR-TRE-9d18ae8c-37
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MAR-TRE-c8530538-23
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MAR-TRE-3e4e6814-8
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MAR-TRE-a9136c7b-77
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MAR-TRE-c8530538-11
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MAR-TRE-c8530538-65
0.294
MAK-UNK-2c1752f0-2
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MAR-TRE-c8530538-76
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BRU-THA-92256091-22
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MAR-TRE-c8530538-96
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MAR-TRE-c8530538-2
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ERI-UCB-fbdd3ea1-3
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MAR-TRE-a9136c7b-93
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MAR-TRE-c8530538-38
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LON-WEI-adc59df6-73
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NIM-UNI-bb9030bf-13
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BRU-THA-92256091-27
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MAR-TRE-c8530538-10
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LON-WEI-b8d98729-2
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LON-WEI-b8d98729-20
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MAR-TRE-c8530538-71
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NIM-UNI-bb9030bf-6
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MAR-TRE-c8530538-8
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MAR-TRE-c8530538-80
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NAM-UNK-f7c77a48-2
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MAR-TRE-c8530538-17
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LON-WEI-b8d98729-45
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LON-WEI-b8d98729-46
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BRU-THA-92256091-19
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BAR-COM-4e090d3a-3
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MAR-TRE-2fd8122f-93
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MAR-TRE-c8530538-1
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NIM-UNI-bb9030bf-4
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BRU-THA-92256091-11
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BRU-THA-92256091-24
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DAR-DIA-2b784ede-42
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ALP-POS-ced8ea4d-41
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ALP-POS-95f71980-27
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NIM-NMI-8bb27a2b-2
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RAL-MED-9a5eb9cb-1
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ERI-UCB-fbdd3ea1-2
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LON-WEI-b8d98729-39
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LON-WEI-b8d98729-29
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ERI-UCB-fbdd3ea1-1
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MAR-TRE-3724962b-19
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WIL-UNI-de614146-8
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DAR-DIA-2b784ede-50
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LON-WEI-adc59df6-26
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NIM-UNI-bb9030bf-7
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ERI-UCB-fbdd3ea1-6
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NIM-UNI-bb9030bf-16
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LON-WEI-babf2c61-9
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BRU-THA-92256091-6
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ALP-POS-e980f4ea-41
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BRU-THA-92256091-21
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MAR-TRE-f6f5f473-71
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NIM-NMI-8bb27a2b-16
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LON-WEI-b8d98729-42
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BRU-THA-92256091-8
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ALP-POS-95f71980-32
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MAR-TRE-c8530538-54
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MAR-TRE-2fd8122f-80
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MAR-TRE-fd17a9b8-80
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LON-WEI-d1c9908a-10
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NIM-NMI-8bb27a2b-1
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ERI-UCB-fbdd3ea1-5
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DAR-DIA-2b784ede-52
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LON-WEI-babf2c61-10
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ALP-POS-ced8ea4d-19
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WIL-UNI-354943b6-10
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ALP-POS-305f6ec3-52
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BRU-THA-92256091-2
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BRU-THA-92256091-13
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BRU-THA-92256091-18
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BRU-THA-92256091-67
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BAR-COM-655b106d-2
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MAR-TRE-c8530538-44
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MAR-TRE-c8530538-92
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ERI-UCB-fbdd3ea1-7
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ERI-UCB-fbdd3ea1-9
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NIM-NMI-8bb27a2b-4
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ALP-POS-1245c3fa-1
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WIL-UNI-de614146-7
0.252
ALP-POS-305f6ec3-59
0.252
BRU-THA-92256091-42
0.252
BRU-THA-92256091-12
0.252
LON-WEI-b8d98729-18
0.250
BRU-THA-92256091-17
0.250
ALP-POS-e980f4ea-19
0.250
ALP-POS-305f6ec3-20
0.250
ALP-POS-ced8ea4d-27
0.250
NIM-NMI-8bb27a2b-18
0.250