Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CNc1ccnc2ccccc12 |
| MW: | 292.342 |
| Fraction sp3: | 0.12 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 66.91 |
| cLogP: | 2.98882 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-479-856 |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | 2020-05-20 |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-17
0.544
GAB-REV-70cc3ca5-21
0.473
MAK-UNK-6ca90168-26
0.441
MAT-POS-590ac91e-7
0.440
TRY-UNI-714a760b-5
0.432
BEN-DND-93268d01-4
0.430
GAB-REV-70cc3ca5-9
0.429
GAB-REV-70cc3ca5-13
0.425
MAT-POS-590ac91e-11
0.425
GAB-REV-70cc3ca5-23
0.424
ASH-SAT-43770c7d-9
0.423
BEN-DND-93268d01-13
0.418
ALP-POS-95b75b4d-1
0.412
ALE-HEI-f28a35b5-12
0.405
JOH-UNI-abfda500-6
0.405
ANN-UNI-98d2bf15-1
0.405
BEN-DND-93268d01-7
0.402
EDJ-MED-e58735b6-2
0.400
ALP-POS-95b75b4d-2
0.400
MIH-UNI-6b9ca91a-1
0.397
BEN-DND-93268d01-9
0.397
BEN-DND-93268d01-11
0.397
BEN-DND-09b88bf4-5
0.397
THO-SYG-cc9e9a11-1
0.395
JAN-GHE-83b26c96-11
0.395
AAR-POS-d2a4d1df-3
0.394
MAK-UNK-6435e6c2-8
0.394
MAT-POS-590ac91e-10
0.392
BEN-DND-93268d01-10
0.392
MAT-POS-590ac91e-6
0.390
PET-SGC-6e7c5dc0-1
0.390
EDJ-MED-3c65e9ce-1
0.388
EDG-MED-0da5ad92-8
0.388
BEN-DND-93268d01-8
0.388
MAT-POS-590ac91e-15
0.388
TRY-UNI-2eddb1ff-2
0.388
WAR-XCH-e55cba98-11
0.386
GAB-REV-70cc3ca5-10
0.385
MAT-POS-590ac91e-9
0.385
JAN-GHE-83b26c96-13
0.383
TRY-UNI-714a760b-6
0.383
EDJ-MED-3c65e9ce-4
0.383
GAB-REV-70cc3ca5-20
0.383
NIR-THE-b7e8e081-2
0.381
ANN-UNI-98d2bf15-2
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BEN-DND-6de5dfa0-16
0.381
GAB-REV-70cc3ca5-5
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MAT-POS-590ac91e-23
0.380
TRY-UNI-714a760b-10
0.380
ALE-HEI-f28a35b5-6
0.380
EDG-MED-0da5ad92-4
0.380
ALE-HEI-f28a35b5-3
0.380
MAK-UNK-372b0df5-3
0.378
JAN-GHE-83b26c96-12
0.378
BEN-DND-22e6b372-4
0.378
BEN-DND-93268d01-6
0.376
ALE-HEI-f28a35b5-10
0.375
THO-SYG-cc9e9a11-2
0.375
EDJ-MED-c9f55a56-1
0.375
MAT-POS-590ac91e-24
0.375
BEN-DND-93268d01-3
0.375
NAU-LAT-3f5f3993-5
0.373
BEN-DND-09b88bf4-3
0.373
BEN-DND-6de5dfa0-3
0.373
BEN-DND-6de5dfa0-5
0.373
EDJ-MED-e58735b6-3
0.372
GAB-REV-70cc3ca5-3
0.372
BEN-DND-09b88bf4-8
0.372
DAR-DIA-0cde14eb-79
0.372
BEN-DND-6de5dfa0-2
0.371
WIL-WAB-6ef46ddb-1
0.371
BEN-DND-09b88bf4-1
0.371
PET-SGC-d5b502b1-1
0.371
MAT-POS-590ac91e-17
0.370
ALP-POS-90c18d1d-1
0.370
EDJ-MED-e58735b6-1
0.369
BEN-DND-03406596-7
0.369
BEN-DND-6de5dfa0-1
0.369
BEN-DND-09b88bf4-2
0.369
BEN-DND-6de5dfa0-4
0.369
BEN-DND-09b88bf4-4
0.369
NIR-THE-b7e8e081-1
0.369
BEN-DND-22e6b372-3
0.369
ALE-HEI-f28a35b5-13
0.368
PED-UNI-292b67d6-1
0.368
PET-SGC-2e937068-1
0.368
GAB-REV-70cc3ca5-7
0.367
MAK-UNK-6ca90168-27
0.366
BEN-DND-93268d01-5
0.366
GAB-REV-70cc3ca5-2
0.366
BEN-DND-09b88bf4-6
0.365
TRY-UNI-2eddb1ff-1
0.365
JAN-GHE-83b26c96-14
0.365
ALP-POS-95b75b4d-3
0.365
DAR-DIA-0cde14eb-76
0.365
ALP-POS-f13221e1-4
0.365
BEN-DND-6de5dfa0-7
0.365
ALE-HEI-f28a35b5-1
0.364
TRY-UNI-714a760b-4
0.364
MAK-UNK-f203cb68-3
0.363