Molecular Properties | |
SMILES: | N#Cc1ccc(O)c(NC(=O)Cc2cccnc2)c1 |
MW: | 253.09 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 86.01 |
cLogP: | 1.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1331696129 |
Enamine Extended REAL: | s_22____7866852____7459856 |
Mcule: | MCULE-1134982960 |
MolPort: | MolPort-047-549-488 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
catechol
AAR-POS-d2a4d1df-1
BEN-DND-61647d40-18
0.629
BEN-DND-61647d40-7
0.615
ANT-DIA-3c79be55-2
0.547
DAR-DIA-23aa0b97-4
0.545
DAR-DIA-23aa0b97-6
0.522
BEN-DND-61647d40-17
0.478
ANN-UNI-26382800-5
0.451
SAD-SAT-24589cd1-5
0.432
DAR-DIA-23aa0b97-17
0.431
SAD-SAT-24589cd1-8
0.416
TRY-UNI-714a760b-20
0.408
WAR-XCH-6eb0722e-1
0.393
NAU-LAT-64f4b287-9
0.388
SAD-SAT-24589cd1-3
0.388
SAD-SAT-24589cd1-1
0.388
GAB-REV-70cc3ca5-13
0.387
MAK-UNK-6ca90168-23
0.382
TRY-UNI-2eddb1ff-1
0.377
ALP-POS-95b75b4d-9
0.377
WAR-XCH-6eb0722e-3
0.375
ALP-POS-95b75b4d-6
0.365
TRY-UNI-714a760b-19
0.362
RAL-MED-2de63afb-1
0.358
ANN-UNI-26382800-3
0.357
JOH-UNK-14e6adc5-2
0.357
DAR-DIA-23aa0b97-5
0.356
WAR-XCH-eb7b662f-1
0.356
JOR-UNI-61e7b1d5-2
0.356
ANN-UNI-26382800-4
0.356
SAD-SAT-24589cd1-6
0.356
MAK-UNK-748f8b7a-6
0.356
RAL-THA-2d450e86-5
0.354
RAL-THA-2d450e86-12
0.354
MAT-POS-c20a539d-5
0.353
SAN-PRS-52b81272-2
0.353
PET-UNK-6314f867-2
0.353
SAD-SAT-24589cd1-10
0.352
MAR-TRE-2fd8122f-69
0.351
AGN-NEW-c7b24fe3-4
0.351
THO-SYG-cc9e9a11-8
0.348
SAD-SAT-24589cd1-4
0.348
DAR-DIA-23aa0b97-16
0.347
DAR-DIA-842b4336-14
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AGN-NEW-c7b24fe3-3
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CHA-MCP-85291e1d-5
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EDG-MED-0da5ad92-2
0.342
CHR-SOS-363cfb78-1
0.342
JOR-UNI-61e7b1d5-1
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ANT-OPE-6e66bf84-1
0.341
SAD-SAT-f25ee457-3
0.340
MAR-TRE-67513f76-81
0.339
DAR-DIA-842b4336-15
0.338
MAK-UNK-30aad1f1-6
0.337
MAK-UNK-6ca90168-29
0.333
ANT-OPE-6e66bf84-2
0.333
SAD-SAT-24589cd1-9
0.333
CHA-MCP-85291e1d-2
0.333
THO-SYG-cc9e9a11-4
0.333
MAK-UNK-30aad1f1-14
0.333
MAR-TRE-2fd8122f-46
0.330
MAK-UNK-c749d764-17
0.329
THO-SYG-cc9e9a11-7
0.326
DAR-DIA-23aa0b97-3
0.325
WAR-XCH-eb7b662f-2
0.325
ALP-POS-95b75b4d-2
0.325
MAR-TRE-d0525fbf-91
0.325
MAK-UNK-a7b37c5e-4
0.324
MAR-TRE-0fda4e82-32
0.324
MAK-UNK-30aad1f1-1
0.322
DAR-DIA-23aa0b97-18
0.322
MAT-POS-cc05818f-1
0.322
RAL-THA-2d450e86-17
0.322
MAK-UNK-ca11b4f7-4
0.321
ALP-POS-95b75b4d-7
0.321
JAN-GHE-83b26c96-12
0.321
MAK-UNK-a7b37c5e-5
0.319
BEN-DND-61647d40-10
0.316
SAM-UNK-2684b532-13
0.316
ALP-POS-95b75b4d-8
0.316
MAK-UNK-c749d764-27
0.316
THO-SYG-cc9e9a11-3
0.315
DAR-DIA-842b4336-10
0.315
TRY-UNI-714a760b-5
0.315
TRY-UNI-1fd04853-6
0.314
MAK-UNK-748f8b7a-9
0.314
MAK-UNK-c749d764-14
0.312
DAR-DIA-0cde14eb-14
0.310
JOR-UNI-61e7b1d5-3
0.309
TRY-UNI-714a760b-6
0.308
MAR-TRE-2fd8122f-57
0.308
EDJ-MED-e58735b6-2
0.308
JAN-GHE-83b26c96-13
0.308
JOH-IMS-62aeb97d-5
0.308
MAK-UNK-ca11b4f7-1
0.308
JOR-UNI-61e7b1d5-9
0.307
JOR-UNI-61e7b1d5-7
0.307
MAK-UNK-30aad1f1-7
0.307
DAR-DIA-842b4336-11
0.307
ALE-HEI-f28a35b5-5
0.307
MAR-TRE-9d18ae8c-35
0.305