Molecular Properties | |
SMILES: | COc1ccc2nc(NC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)sc2c1 |
MW: | 422.14 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 85.25 |
cLogP: | 4.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8115614990 |
MolPort: | MolPort-007-772-938 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
aminothiazole
LON-WEI-4d77710c-58
1.000
LON-WEI-4d77710c-30
0.697
LON-WEI-5e7d1b3e-30
0.697
LON-WEI-4d77710c-43
0.536
LON-WEI-5e7d1b3e-43
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LON-WEI-4d77710c-56
0.531
LON-WEI-5e7d1b3e-56
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LON-WEI-4d77710c-9
0.521
LON-WEI-5e7d1b3e-9
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LON-WEI-5e7d1b3e-28
0.515
LON-WEI-4d77710c-28
0.515
LON-WEI-4d77710c-29
0.505
LON-WEI-5e7d1b3e-29
0.505
LON-WEI-4d77710c-48
0.500
LON-WEI-5e7d1b3e-48
0.500
LON-WEI-5e7d1b3e-22
0.485
LON-WEI-4d77710c-22
0.485
LON-WEI-4d77710c-4
0.480
LON-WEI-5e7d1b3e-4
0.480
LON-WEI-5e7d1b3e-21
0.475
LON-WEI-4d77710c-21
0.475
LON-WEI-4d77710c-17
0.465
MAT-POS-2492181e-4
0.465
LON-WEI-5e7d1b3e-17
0.465
MAT-POS-af71705c-2
0.452
LON-WEI-5e7d1b3e-27
0.449
LON-WEI-4d77710c-27
0.449
MAT-POS-2492181e-12
0.440
LON-WEI-5e7d1b3e-44
0.436
LON-WEI-4d77710c-44
0.436
LON-WEI-5e7d1b3e-16
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LON-WEI-4d77710c-16
0.433
MAT-POS-b5746674-109
0.433
MAT-POS-2492181e-11
0.433
MAT-POS-2492181e-8
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LON-WEI-5e7d1b3e-13
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LON-WEI-4d77710c-13
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LON-WEI-4d77710c-51
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LON-WEI-5e7d1b3e-51
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MAT-POS-2492181e-9
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MAT-POS-2492181e-7
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MAT-POS-b5746674-105
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LON-WEI-4d77710c-20
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LON-WEI-4d77710c-42
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LON-WEI-5e7d1b3e-42
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LON-WEI-5e7d1b3e-20
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LON-WEI-5e7d1b3e-40
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LON-WEI-4d77710c-40
0.407
LON-WEI-4d77710c-55
0.405
LON-WEI-5e7d1b3e-55
0.405
LON-WEI-5e7d1b3e-15
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MAT-POS-b5746674-100
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LON-WEI-4d77710c-15
0.404
LON-WEI-4d77710c-60
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MAT-POS-b5746674-104
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LON-WEI-5e7d1b3e-60
0.400
MAT-POS-2492181e-6
0.400
MAT-POS-b5746674-99
0.394
MAT-POS-b5746674-102
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LON-WEI-4d77710c-38
0.393
LON-WEI-5e7d1b3e-38
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MAT-POS-2492181e-10
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MAT-POS-b5746674-110
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MAT-POS-b5746674-106
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MAT-POS-b5746674-107
0.385
LON-WEI-4d77710c-54
0.385
LON-WEI-5e7d1b3e-54
0.385
MAT-POS-b5746674-108
0.385
LON-WEI-4d77710c-35
0.385
LON-WEI-5e7d1b3e-35
0.385
LON-WEI-5e7d1b3e-34
0.373
LON-WEI-4d77710c-34
0.373
MAT-POS-b5746674-101
0.373
MAT-POS-b5746674-103
0.373
LON-WEI-4d77710c-18
0.369
LON-WEI-5e7d1b3e-18
0.369
LON-WEI-5e7d1b3e-53
0.359
LON-WEI-4d77710c-53
0.359
LON-WEI-5e7d1b3e-36
0.340
LON-WEI-4d77710c-36
0.340
LON-WEI-5e7d1b3e-1
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LON-WEI-4d77710c-1
0.336
MAT-POS-3b92565d-8
0.321
LON-WEI-4d77710c-5
0.318
LON-WEI-5e7d1b3e-5
0.318
MAT-POS-3b92565d-7
0.303
LON-WEI-4d77710c-6
0.302
LON-WEI-5e7d1b3e-6
0.302
MAT-POS-af71705c-1
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LON-WEI-5e7d1b3e-49
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LON-WEI-4d77710c-49
0.296
UNK-UNK-2ede4078-29
0.294
LON-WEI-4d77710c-52
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LON-WEI-5e7d1b3e-52
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MAT-POS-2492181e-1
0.291
LON-WEI-5e7d1b3e-12
0.288
LON-WEI-4d77710c-12
0.288
LON-WEI-4d77710c-33
0.288
LON-WEI-5e7d1b3e-33
0.288
LON-WEI-4d77710c-39
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