Molecular Properties | |
SMILES: | N#Cc1cncc(CC(=O)Nc2cccnc2)c1 |
MW: | 238.25 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 1.52948 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-338-951 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-17 |
DAR-DIA-23aa0b97-16
0.633
ANN-UNI-26382800-5
0.625
DAR-DIA-23aa0b97-6
0.585
TRY-UNI-2eddb1ff-1
0.551
SAD-SAT-24589cd1-4
0.541
SAN-PRS-52b81272-2
0.525
CHR-SOS-363cfb78-1
0.523
MAK-UNK-a7b37c5e-4
0.508
MAK-UNK-a7b37c5e-5
0.500
DAR-DIA-842b4336-14
0.500
MAR-TRE-67513f76-81
0.500
EDG-MED-0da5ad92-2
0.500
DAR-DIA-23aa0b97-4
0.493
DAR-DIA-842b4336-10
0.492
DAR-DIA-23aa0b97-7
0.486
DAR-DIA-842b4336-15
0.486
DAR-DIA-842b4336-11
0.478
MAK-UNK-a7b37c5e-2
0.471
MAK-UNK-c749d764-17
0.463
CHA-MCP-85291e1d-2
0.458
MAK-UNK-ca11b4f7-1
0.458
JOH-IMS-62aeb97d-5
0.458
ALE-HEI-f28a35b5-5
0.456
JOH-UNK-14e6adc5-2
0.455
ANN-UNI-26382800-3
0.455
CHA-MCP-85291e1d-1
0.453
CHA-MCP-85291e1d-5
0.452
DAR-DIA-23aa0b97-3
0.446
JAN-UNI-2e92c4b1-2
0.444
MAK-UNK-c749d764-27
0.443
MAK-UNK-a7b37c5e-1
0.441
DAR-DIA-842b4336-12
0.435
DAR-DIA-842b4336-13
0.435
MAK-UNK-c749d764-14
0.432
DAR-DIA-23aa0b97-2
0.432
BEN-DND-61647d40-8
0.431
MAR-TRE-2fd8122f-57
0.431
JOR-UNI-61e7b1d5-2
0.429
DAR-DIA-23aa0b97-5
0.429
ANN-UNI-26382800-4
0.429
WAR-XCH-eb7b662f-1
0.429
DAR-DIA-842b4336-16
0.429
KAL-WAB-eb347ebe-1
0.425
JOR-UNI-61e7b1d5-1
0.423
CHR-SOS-f7373dd1-5
0.423
MAR-TRE-2fd8122f-69
0.419
ALE-HEI-f28a35b5-14
0.415
MAK-UNK-30aad1f1-7
0.415
MAK-UNK-c749d764-13
0.413
BEN-DND-61647d40-7
0.413
AUS-ARG-7cfdce8f-11
0.412
SAD-SAT-f25ee457-3
0.411
MAR-TRE-d0525fbf-91
0.411
WAR-XCH-eb7b662f-2
0.411
BEN-DND-61647d40-21
0.411
MAK-UNK-30aad1f1-12
0.410
MAR-TRE-04c86cea-41
0.410
MAR-TRE-2fd8122f-39
0.407
CHR-SOS-59746812-2
0.405
MAR-TRE-2fd8122f-46
0.405
JAN-UNI-2e92c4b1-1
0.403
MAR-TRE-3e4e6814-62
0.403
MAK-UNK-c749d764-23
0.403
MAR-TRE-2fd8122f-37
0.403
CHR-SOS-59746812-6
0.400
BEN-DND-61647d40-10
0.400
BEN-DND-61647d40-9
0.397
MAK-UNK-30aad1f1-6
0.395
MAK-UNK-30aad1f1-1
0.395
MAR-TRE-9c797165-14
0.395
CHR-SOS-f7373dd1-2
0.392
MAR-TRE-f6f5f473-95
0.390
MAK-UNK-30aad1f1-8
0.390
MAR-TRE-2fd8122f-99
0.390
MAR-TRE-67513f76-13
0.390
MAR-TRE-74c6519b-55
0.390
ANT-DIA-3c79be55-2
0.389
MAR-TRE-2fd8122f-68
0.388
MAR-TRE-74c6519b-17
0.388
WIL-UNI-5578df48-15
0.387
MAR-TRE-7f7bb9f0-46
0.387
MAR-TRE-67513f76-22
0.386
MAR-TRE-9c797165-94
0.385
DAR-DIA-842b4336-9
0.384
MAR-TRE-7f7bb9f0-74
0.384
BEN-DND-61647d40-5
0.383
MAR-TRE-3e4e6814-50
0.382
MAR-TRE-04c86cea-97
0.382
JOR-UNI-61e7b1d5-9
0.381
JOR-UNI-61e7b1d5-7
0.381
ALE-HEI-f28a35b5-9
0.380
AAR-POS-d2a4d1df-13
0.380
FRA-FAC-9ed5a63a-1
0.380
DAR-DIA-842b4336-6
0.378
MAR-TRE-7f7bb9f0-56
0.378
BEN-DND-61647d40-6
0.378
MAK-UNK-30aad1f1-14
0.378
JOR-UNI-61e7b1d5-3
0.378
DAR-DIA-23aa0b97-15
0.377
CHR-SOS-59746812-1
0.377