Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c1 |
MW: | 294.1 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 66.48 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9663540837 |
MolPort: | MolPort-001-823-974 |
Activity Data | |
IC50 (µM) - RapidFire: | 42.3633050879897 |
Order Status | |
Shipped: | 2020-07-21 |
diketo group
Filter41_12_dicarbonyl
Ketone
LOR-NOR-30067bb9-17
0.594
JAG-UCB-ef2c0e8e-3
0.415
LOR-NOR-30067bb9-9
0.356
DAR-DIA-53551c05-4
0.350
LOR-NEU-c8f11034-5
0.347
MAR-TRE-04c86cea-43
0.340
LOR-NOR-30067bb9-12
0.338
MAR-TRE-14ce9fd6-43
0.333
MAR-TRE-0fda4e82-26
0.333
MAR-TRE-3e4e6814-29
0.333
MAR-TRE-f6f5f473-59
0.327
DAR-DIA-53551c05-21
0.326
DAR-DIA-53551c05-6
0.325
DAR-DIA-53551c05-8
0.325
MAR-TRE-f6f5f473-3
0.324
DAR-DIA-53551c05-5
0.316
WAR-XCH-eb7b662f-6
0.312
LOR-NOR-30067bb9-3
0.310
JOH-UNI-c7afdb96-13
0.309
MAK-UNK-7a704a63-9
0.309
LOR-NOR-c954e7ad-4
0.299
AAR-UNI-c25c2f1e-98
0.297
JOH-UNI-c7afdb96-8
0.296
MAR-TRE-3159af1a-85
0.296
MAR-TRE-4b834d9a-45
0.293
MAR-TRE-2fd8122f-91
0.293
MAR-TRE-2fd8122f-49
0.293
KEI-TRE-d5e2018a-37
0.293
MAR-TRE-f6f5f473-46
0.293
DAR-DIA-53551c05-22
0.292
NIR-THE-0d6461ce-1
0.289
JOH-UNI-c7afdb96-7
0.289
LON-WEI-b8d98729-4
0.287
JAN-GHE-1d98ec1c-7
0.287
JOH-UNI-c7afdb96-6
0.282
MAR-TRE-9d18ae8c-43
0.280
RAL-MED-2de63afb-11
0.277
LON-WEI-8f408cad-1
0.277
AAR-POS-0daf6b7e-11
0.277
MAK-UNK-7a704a63-10
0.277
NAU-LAT-ec9c7557-4
0.277
LOR-NOR-c954e7ad-5
0.275
MAK-UNK-942dcb71-11
0.273
MAR-TRE-2fd8122f-54
0.272
JAG-UCB-252a2f58-1
0.271
MAK-UNK-ec98eaf6-32
0.270
BEN-DND-61647d40-11
0.270
MAK-UNK-af83ef51-13
0.268
MAR-TRE-2fd8122f-43
0.266
MAK-UNK-1e8f9e3c-4
0.265
JAG-UCB-77729364-1
0.265
MAK-UNK-c8c8f7e2-16
0.265
MAR-TRE-f5c2d31c-18
0.265
HAO-BIO-c9aafde3-8
0.264
MAK-UNK-6435e6c2-4
0.263
MAR-TRE-fd17a9b8-91
0.262
LOR-NOR-30067bb9-2
0.261
BEN-DND-61647d40-14
0.261
AAR-UNI-c25c2f1e-22
0.260
MAK-UNK-9159f8ed-4
0.260
MAR-TRE-fd17a9b8-30
0.258
MAR-TRE-f5c2d31c-9
0.257
MAK-UNK-c8c8f7e2-17
0.256
JIN-POS-6dc588a4-1
0.256
BEN-DND-61647d40-13
0.256
RAL-MED-2de63afb-6
0.256
BEN-DND-02317c5c-11
0.256
MAK-UNK-942dcb71-12
0.253
BEN-DND-61647d40-12
0.253
MAT-POS-bfb445d4-1
0.253
MAT-POS-3b92565d-14
0.253
BEN-DND-02317c5c-12
0.253
KEI-TRE-d5e2018a-85
0.252
KEI-TRE-d5e2018a-45
0.250
MAK-UNK-9159f8ed-1
0.250
JAR-IMP-ed466bb3-5
0.250
MAR-TRE-6a44bbf2-3
0.247
CHR-GRO-516f90f3-1
0.247
JAG-UCB-a3ef7265-12
0.247
KEI-TRE-d5e2018a-24
0.245
OLE-CAR-5b17bec5-6
0.245
WAR-XCH-b6889685-27
0.244
DAR-DIA-23aa0b97-3
0.244
MAR-TRE-6a44bbf2-43
0.244
AHN-SAT-de2502ba-6
0.244
MIC-UNK-66895286-3
0.244
MAK-UNK-7a704a63-8
0.244
MAK-UNK-c8c8f7e2-15
0.244
NAU-LAT-f723e322-3
0.242
WIL-LEE-23e8b574-6
0.241
MAR-TRE-7f7bb9f0-88
0.240
MAR-TRE-7f7bb9f0-84
0.240
KEI-TRE-d5e2018a-6
0.240
MAK-UNK-1e8f9e3c-2
0.240
MAR-TRE-2fd8122f-9
0.240
AAR-UNI-c25c2f1e-89
0.240
MAR-TRE-b77b7921-52
0.240
LOR-NOR-30067bb9-6
0.239
MAR-TRE-3e4e6814-55
0.239
MAK-UNK-c8c8f7e2-18
0.239