Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)C(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(-c2ccccc2)c1 |
MW: | 493.12 |
Fraction sp3: | 0.03 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 91.92 |
cLogP: | 5.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-07-12 |
Synthesis Location: | wuxi |
Shipped: | synthesis in progress |
beta-keto/anhydride
Ketone
Dye 11
oxy-amide
ALP-POS-ddb41b15-1
0.478
ERI-UCB-ce40166b-20
0.388
CHR-SOS-7098f804-13
0.352
MAR-TRE-4b834d9a-27
0.348
KEI-TRE-d5e2018a-23
0.348
CHR-SOS-7098f804-14
0.346
MAR-TRE-74c6519b-68
0.339
BEN-DND-7e92b6ca-4
0.336
ERI-UCB-ce40166b-16
0.333
ALP-POS-ddb41b15-10
0.333
MAR-TRE-74c6519b-79
0.322
BEN-DND-7e92b6ca-5
0.321
DAR-DIA-8e329c92-10
0.319
MAR-TRE-3e4e6814-100
0.319
DAR-DIA-53551c05-15
0.319
MAR-TRE-2fd8122f-97
0.318
NAU-LAT-56d5284e-8
0.316
ALP-POS-ddb41b15-2
0.315
DAR-DIA-53551c05-17
0.314
ADA-UNI-f8e79267-5
0.311
NAU-LAT-56d5284e-3
0.311
NAU-LAT-a5c7d7cb-7
0.310
NAU-LAT-56d5284e-7
0.310
ERI-UCB-ce40166b-17
0.310
ALP-POS-3fc1724e-2
0.310
MAK-UNK-df1a028e-3
0.304
ADA-UNI-f8e79267-11
0.304
ALP-POS-bea7b391-1
0.303
NAU-LAT-56d5284e-4
0.303
NAU-LAT-56d5284e-6
0.303
NAU-LAT-56d5284e-2
0.299
NAU-LAT-56d5284e-5
0.299
BEN-DND-7e92b6ca-3
0.298
ALP-UNI-ed5cdfd2-7
0.298
ADA-UNI-f8e79267-10
0.298
ALP-POS-3fc1724e-1
0.298
MAT-POS-916a2c5a-4
0.297
MAR-TRE-2fd8122f-90
0.297
ADA-UNI-f8e79267-2
0.297
EDJ-MED-78f964c8-1
0.297
VLA-UCB-eb340134-4
0.297
MAR-TRE-fd17a9b8-39
0.297
MAR-TRE-4b834d9a-82
0.297
KEI-TRE-d5e2018a-16
0.296
IND-SYN-35527f5a-1
0.295
IND-SYN-8bc6954a-3
0.295
SWA-SYN-59528602-1
0.295
ERI-UCB-d6de1f3c-1
0.294
ALP-UNI-ed5cdfd2-6
0.294
MAR-TRE-67513f76-32
0.294
BEN-DND-7e92b6ca-6
0.294
KEI-TRE-d5e2018a-81
0.294
KEI-TRE-d5e2018a-99
0.294
ERI-UCB-a0b0dbcb-2
0.293
WAR-XCH-eb7b662f-3
0.293
ERI-UCB-ce40166b-18
0.292
JAN-GHE-82a280f8-1
0.292
DAR-DIA-8e329c92-6
0.292
ALP-POS-ddb41b15-3
0.291
KRI-MAR-d2e3ef86-12
0.291
MAR-TRE-f6f5f473-31
0.291
NAU-LAT-56d5284e-1
0.291
LON-WEI-b2874fec-25
0.291
ADA-UNI-f8e79267-8
0.291
DAR-DIA-23aa0b97-15
0.290
BEN-DND-7e92b6ca-10
0.289
KRI-MAR-d2e3ef86-5
0.289
DAR-DIA-8e329c92-4
0.289
DAR-DIA-8e329c92-11
0.289
KRI-MAR-d2e3ef86-15
0.288
MAR-UCB-f313ec4d-4
0.288
ALP-UNI-ed5cdfd2-5
0.288
BEN-DND-7e92b6ca-9
0.288
ADA-UNI-f8e79267-7
0.288
AUS-ARG-7cfdce8f-11
0.287
MAR-TRE-2fd8122f-51
0.287
KEI-TRE-d5e2018a-47
0.287
KEI-TRE-d5e2018a-76
0.287
ALP-POS-05819dc4-1
0.287
ERI-UCB-a0b0dbcb-1
0.287
ERI-UCB-ce40166b-19
0.285
DAR-DIA-8e329c92-9
0.284
MAR-UCB-d1255a91-2
0.283
ADA-UCB-b1b30a00-1
0.283
ERI-UCB-a0b0dbcb-12
0.283
LON-WEI-1908424e-9
0.282
ASH-UNK-40b46b30-3
0.282
PET-SGC-b0f8bd49-1
0.282
PET-SGC-d0156db4-1
0.282
BEN-DND-362d364a-12
0.282
DRE-WAB-ae4a693c-1
0.282
ADA-UNI-f8e79267-4
0.282
KEI-TRE-d5e2018a-17
0.282
DAR-DIA-23aa0b97-16
0.282
KEI-TRE-d5e2018a-19
0.281
MAT-POS-916a2c5a-2
0.280
ALP-UNI-ed5cdfd2-4
0.280
KEI-TRE-d5e2018a-42
0.279
EMI-TUK-a58865cc-7
0.279
WAR-XCH-eb7b662f-4
0.279