Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCc1ccccn1 |
| MW: | 241.12 |
| Fraction sp3: | 0.21 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 54.88 |
| cLogP: | 2.36 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1129289079 |
| Enamine Extended REAL: | s_22____3391102____2229312 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
AAR-POS-d2a4d1df-1
THO-SYG-cc9e9a11-1
0.586
MAT-POS-590ac91e-17
0.569
BEN-DND-93268d01-7
0.559
BEN-DND-93268d01-5
0.537
ALE-HEI-f28a35b5-12
0.532
ALP-POS-f13221e1-4
0.529
BEN-DND-93268d01-6
0.521
TRY-UNI-714a760b-5
0.516
MAK-UNK-6ca90168-26
0.508
PET-SGC-6e7c5dc0-1
0.508
THO-SYG-cc9e9a11-3
0.506
THO-SYG-cc9e9a11-2
0.493
MAK-UNK-372b0df5-3
0.486
ALE-HEI-f28a35b5-10
0.485
MAT-POS-590ac91e-10
0.485
MAT-POS-590ac91e-6
0.485
MAT-POS-590ac91e-11
0.484
ASH-SAT-43770c7d-9
0.484
PET-SGC-83d43576-1
0.481
ANN-UNI-98d2bf15-1
0.478
JOH-UNI-abfda500-6
0.478
BEN-DND-93268d01-13
0.471
JAN-GHE-83b26c96-11
0.470
PET-SGC-2e937068-1
0.467
AAR-POS-d2a4d1df-3
0.456
MAK-UNK-6435e6c2-8
0.456
MAT-POS-590ac91e-9
0.456
MAT-POS-590ac91e-7
0.456
GAB-REV-70cc3ca5-3
0.453
PET-SGC-d0fd10df-1
0.451
GAB-REV-70cc3ca5-20
0.451
ALP-POS-95b75b4d-2
0.451
EDJ-MED-e58735b6-2
0.451
JAN-GHE-83b26c96-13
0.451
TRY-UNI-714a760b-6
0.451
BEN-DND-93268d01-11
0.449
MIH-UNI-6b9ca91a-1
0.449
ALE-HEI-f28a35b5-3
0.449
WAR-XCH-e55cba98-11
0.449
DAR-DIA-0cde14eb-1
0.447
ANN-UNI-98d2bf15-2
0.446
ALP-POS-95b75b4d-1
0.444
JAN-GHE-83b26c96-12
0.444
EDJ-MED-c9f55a56-1
0.443
MAT-POS-590ac91e-24
0.443
DAR-DIA-0cde14eb-2
0.442
THO-SYG-cc9e9a11-4
0.440
MAT-POS-590ac91e-15
0.437
TRY-UNI-2eddb1ff-2
0.437
EDG-MED-0da5ad92-8
0.437
MAK-UNK-372b0df5-2
0.436
DAR-DIA-0cde14eb-4
0.436
DAR-DIA-0cde14eb-3
0.436
EDJ-MED-e58735b6-3
0.434
GAB-REV-70cc3ca5-22
0.434
GAB-REV-70cc3ca5-8
0.434
EDJ-MED-e58735b6-1
0.432
CHR-SOS-6c45c019-10
0.430
PET-SGC-d5b502b1-1
0.430
WIL-WAB-6ef46ddb-1
0.430
GAB-REV-70cc3ca5-4
0.430
GAB-REV-70cc3ca5-11
0.430
ALE-HEI-f28a35b5-6
0.429
EDG-MED-0da5ad92-4
0.429
TRY-UNI-714a760b-10
0.429
GAB-REV-70cc3ca5-21
0.429
BEN-DND-09b88bf4-5
0.429
BEN-DND-93268d01-9
0.429
ALP-POS-95b75b4d-4
0.429
MAT-POS-590ac91e-23
0.429
ALP-POS-95b75b4d-3
0.427
DAR-DIA-0cde14eb-76
0.427
JAN-GHE-83b26c96-14
0.427
GAB-REV-70cc3ca5-9
0.423
DAR-DIA-0cde14eb-63
0.423
BEN-DND-93268d01-10
0.423
TRY-UNI-714a760b-20
0.421
DAR-DIA-0cde14eb-14
0.420
CHR-SOS-6c45c019-7
0.420
MAK-UNK-6ca90168-27
0.419
NAU-LAT-3f5f3993-5
0.419
BEN-DND-6de5dfa0-3
0.419
BEN-DND-09b88bf4-3
0.419
BEN-DND-6de5dfa0-5
0.419
GAB-REV-70cc3ca5-13
0.419
PET-SGC-6016d8e6-1
0.419
ALE-HEI-f28a35b5-13
0.418
RAL-THA-6b94ceba-15
0.418
BEN-DND-93268d01-8
0.417
EDJ-MED-3c65e9ce-1
0.417
DAR-DIA-0cde14eb-78
0.416
DAR-DIA-0cde14eb-79
0.416
BEN-DND-93268d01-12
0.415
BEN-DND-6de5dfa0-13
0.415
NIR-THE-b7e8e081-1
0.413
BEN-DND-22e6b372-3
0.413
MAT-POS-590ac91e-25
0.413
RAL-THA-6b94ceba-16
0.412
ALE-HEI-f28a35b5-1
0.412
TRY-UNI-714a760b-4
0.412