Molecular Properties | |
SMILES: | COc1ccc([C@H](NC(=O)c2cccc(-n3ncc(C#N)c3N)c2)C(F)(F)F)cc1F |
MW: | 433.12 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.96 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
aniline
high halogen content (>3)
UNK-CYC-68f84b31-15
0.596
UNK-CYC-68f84b31-79
0.587
UNK-CYC-68f84b31-14
0.536
UNK-CYC-68f84b31-3
0.530
UNK-CYC-68f84b31-26
0.521
UNK-CYC-68f84b31-54
0.521
UNK-CYC-68f84b31-59
0.510
UNK-CYC-68f84b31-58
0.505
UNK-CYC-68f84b31-6
0.476
UNK-CYC-68f84b31-71
0.476
UNK-CYC-68f84b31-48
0.476
UNK-CYC-68f84b31-8
0.475
UNK-CYC-68f84b31-44
0.475
UNK-CYC-68f84b31-39
0.474
UNK-CYC-68f84b31-30
0.468
UNK-CYC-68f84b31-29
0.458
UNK-CYC-68f84b31-10
0.454
UNK-CYC-68f84b31-52
0.447
UNK-CYC-68f84b31-61
0.446
UNK-CYC-68f84b31-55
0.424
UNK-CYC-68f84b31-11
0.417
UNK-CYC-68f84b31-12
0.408
UNK-CYC-68f84b31-28
0.397
UNK-CYC-68f84b31-47
0.386
UNK-CYC-68f84b31-60
0.358
UNK-CYC-68f84b31-83
0.355
UNK-CYC-68f84b31-53
0.354
UNK-CYC-68f84b31-65
0.349
UNK-CYC-68f84b31-68
0.345
UNK-CYC-68f84b31-27
0.342
UNK-CYC-68f84b31-80
0.339
MAR-TRE-799db12b-79
0.333
UNK-CYC-68f84b31-81
0.333
UNK-CYC-68f84b31-62
0.325
UNK-CYC-68f84b31-41
0.316
UNK-CYC-68f84b31-34
0.312
UNK-CYC-68f84b31-78
0.308
UNK-CYC-68f84b31-90
0.303
UNK-CYC-68f84b31-64
0.292
UNK-CYC-68f84b31-24
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UNK-CYC-68f84b31-45
0.283
UNK-CYC-68f84b31-74
0.280
MAR-TRE-a9136c7b-70
0.276
UNK-CYC-68f84b31-51
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MAR-TRE-92684b97-32
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UNK-CYC-68f84b31-4
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MAR-TRE-be9ff7d2-3
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MAR-TRE-a9136c7b-13
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BAR-COM-4e090d3a-14
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UNK-CYC-68f84b31-70
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UNK-CYC-68f84b31-46
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UNK-CYC-68f84b31-31
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MAR-TRE-8190bb11-18
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UNK-CYC-68f84b31-73
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WIL-UNI-1faa9b10-44
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UNK-CYC-68f84b31-42
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MAR-TRE-799db12b-32
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MAR-TRE-be9ff7d2-86
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MAR-TRE-9d18ae8c-99
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MAR-TRE-a9136c7b-49
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MAR-TRE-92684b97-77
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MAR-TRE-9d18ae8c-92
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MAR-TRE-8190bb11-36
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BAR-COM-0f94fc3d-45
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MAR-TRE-4f781e27-14
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MAR-TRE-799db12b-55
0.236
MAR-TRE-66ac689e-93
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MAR-TRE-799db12b-75
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MAR-TRE-8190bb11-67
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MAR-TRE-a9136c7b-98
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MAR-TRE-4f781e27-45
0.234
MAT-POS-b5746674-123
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MAR-TRE-a9136c7b-35
0.232
MAR-TRE-799db12b-78
0.232
UNK-CYC-68f84b31-43
0.231
GAB-FAC-0d239413-1
0.229
UNK-CYC-68f84b31-32
0.229
MAR-TRE-8190bb11-1
0.229
MAT-POS-b5746674-124
0.228
MAR-TRE-4f781e27-68
0.227
MAR-TRE-9d18ae8c-80
0.227
UNK-CYC-68f84b31-19
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BEN-VAN-5787f7d3-5
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MAR-TRE-4f781e27-70
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MAR-TRE-799db12b-19
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MAR-TRE-799db12b-49
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MAR-TRE-fd17a9b8-4
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BAR-COM-4e090d3a-2
0.223
MAR-TRE-8190bb11-10
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CLI-TLC-bf000c24-1
0.222
MAR-TRE-4f781e27-20
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MAR-TRE-1c920f6f-90
0.221
MAR-TRE-8190bb11-28
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UNK-CYC-68f84b31-49
0.220
MAR-TRE-9d18ae8c-85
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MAR-TRE-9d18ae8c-87
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JUL-TUD-06b2044f-35
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MAR-TRE-66ac689e-97
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MAR-TRE-be9ff7d2-64
0.218
MAR-TRE-92684b97-1
0.217