Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1 |
| MW: | 268.16 |
| Fraction sp3: | 0.29 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.7 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1129289013 |
| Enamine Extended REAL: | s_22____3391102____2163838 |
| Mcule: | MCULE-8648220225 |
| Mcule Ultimate: | BLCPNJMZJGFGAP-UHFFFAOYSA-N |
| MolPort: | MolPort-047-550-785 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
TRY-UNI-714a760b-5
0.548
ASH-SAT-43770c7d-9
0.542
MAK-UNK-6ca90168-26
0.517
BEN-DND-93268d01-3
0.493
MAT-POS-590ac91e-6
0.492
ALE-HEI-f28a35b5-12
0.492
DAR-DIA-0cde14eb-79
0.479
BEN-DND-93268d01-7
0.479
DAR-DIA-0cde14eb-76
0.472
JAN-GHE-83b26c96-14
0.472
ALP-POS-95b75b4d-3
0.472
BEN-DND-93268d01-4
0.471
PET-SGC-6e7c5dc0-1
0.470
MAT-POS-590ac91e-11
0.469
MAK-UNK-6435e6c2-8
0.464
AAR-POS-d2a4d1df-3
0.464
JOH-UNI-abfda500-6
0.464
ANN-UNI-98d2bf15-1
0.464
MAT-POS-590ac91e-17
0.464
ALE-HEI-f28a35b5-1
0.462
TRY-UNI-714a760b-4
0.462
DAR-DIA-0cde14eb-77
0.461
EDJ-MED-e58735b6-2
0.457
JAN-GHE-83b26c96-13
0.457
ALP-POS-95b75b4d-2
0.457
GAB-REV-70cc3ca5-21
0.456
TRY-UNI-714a760b-10
0.456
ALE-HEI-f28a35b5-6
0.456
EDG-MED-0da5ad92-4
0.456
ABI-SAT-4d06482b-1
0.456
MIH-UNI-6b9ca91a-1
0.456
PET-SGC-d5b502b1-1
0.455
WIL-WAB-6ef46ddb-1
0.455
JAN-GHE-83b26c96-11
0.455
BEN-DND-22e6b372-4
0.451
MAK-UNK-6ca90168-27
0.450
ALE-HEI-f28a35b5-10
0.449
MAT-POS-590ac91e-10
0.449
BEN-DND-93268d01-2
0.444
MAT-POS-590ac91e-7
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MAT-POS-590ac91e-9
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TRY-UNI-714a760b-17
0.441
AHN-SAT-202241f6-1
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EDJ-MED-e58735b6-1
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TRY-UNI-714a760b-6
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BEN-DND-93268d01-5
0.437
BEN-DND-93268d01-14
0.437
BEN-DND-6de5dfa0-2
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WAR-XCH-e55cba98-11
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BEN-DND-09b88bf4-1
0.436
GAB-REV-70cc3ca5-6
0.435
ALE-HEI-f28a35b5-3
0.435
BEN-DND-09b88bf4-5
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BEN-DND-93268d01-9
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MAT-POS-590ac91e-23
0.435
BEN-DND-93268d01-11
0.435
PET-SGC-2e937068-1
0.434
DAN-RED-da448e80-1
0.434
PED-UNI-5b7f1100-1
0.434
DRE-WAB-eb790b7a-1
0.434
PED-UNI-8d53fd73-1
0.434
BEN-DND-09b88bf4-6
0.432
ALP-POS-f13221e1-4
0.432
BEN-DND-6de5dfa0-7
0.432
ALP-POS-90c18d1d-1
0.432
MAK-UNK-372b0df5-3
0.431
ALP-POS-95b75b4d-1
0.431
JAN-GHE-83b26c96-12
0.431
BEN-DND-93268d01-10
0.429
EDJ-MED-c9f55a56-1
0.429
MAT-POS-590ac91e-24
0.429
BEN-DND-93268d01-6
0.427
ANU-UNK-2781581f-1
0.425
RED-SAT-26a928c9-1
0.425
MAK-UNK-f203cb68-18
0.425
GAB-REV-70cc3ca5-13
0.425
EDG-MED-0da5ad92-10
0.425
JAN-GHE-83b26c96-22
0.425
MAT-POS-590ac91e-15
0.423
EDG-MED-0da5ad92-8
0.423
EDJ-MED-3c65e9ce-1
0.423
TRY-UNI-2eddb1ff-2
0.423
BEN-DND-93268d01-8
0.423
BEN-DND-09b88bf4-7
0.422
BEN-DND-09b88bf4-8
0.421
GAB-REV-70cc3ca5-3
0.421
DAR-DIA-0cde14eb-78
0.421
BEN-DND-93268d01-12
0.420
BEN-DND-6de5dfa0-13
0.420
NIR-THE-b7e8e081-1
0.419
BEN-DND-22e6b372-3
0.419
GAB-REV-70cc3ca5-17
0.418
MAK-UNK-129dcd6f-16
0.418
GAB-REV-70cc3ca5-4
0.418
GAB-REV-70cc3ca5-20
0.417
EDJ-MED-3c65e9ce-4
0.417
ANN-UNI-98d2bf15-5
0.416
DAR-DIA-0cde14eb-1
0.416
ALP-POS-95b75b4d-4
0.416
ANN-UNI-98d2bf15-2
0.413