Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1 |
| MW: | 260.07 |
| Fraction sp3: | 0.14 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1354993587 |
| Enamine Extended REAL: | s_22____6725666____3020518 |
| Mcule: | MCULE-5462790075 |
| MolPort: | MolPort-037-621-728 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-01 |
AAR-POS-d2a4d1df-11
JAN-GHE-5a013bed-9
0.610
EDG-MED-0da5ad92-2
0.590
EDG-MED-0da5ad92-13
0.571
MIC-UNK-66895286-1
0.540
PET-UNK-8df914d1-3
0.530
EDG-MED-0da5ad92-16
0.523
PET-UNK-158bee2a-3
0.523
TRY-UNI-714a760b-3
0.515
ALP-POS-3b848b35-3
0.514
RUB-POS-1325a9ea-5
0.514
JAN-GHE-5a013bed-10
0.508
TRY-UNI-714a760b-6
0.507
ABI-SAT-4d06482b-2
0.500
JIN-POS-6dc588a4-22
0.500
RUB-POS-1325a9ea-4
0.500
EDG-MED-0da5ad92-21
0.500
PET-UNK-8df914d1-4
0.500
EDJ-MED-49816e9b-3
0.493
JAN-GHE-5a013bed-8
0.492
MAT-POS-bb423b95-1
0.486
JAN-GHE-5a013bed-6
0.484
ALP-POS-95b75b4d-8
0.478
SAM-UNK-2684b532-13
0.478
JAG-UCB-a3ef7265-15
0.478
EDJ-MED-49816e9b-2
0.478
JAN-GHE-5a013bed-7
0.477
NAU-LAT-e1818702-10
0.477
PET-UNK-f4e47ebd-2
0.474
MIC-UNK-50cce87d-3
0.473
JIN-POS-6dc588a4-12
0.473
MAT-POS-bb423b95-8
0.473
MAT-POS-199e2e7c-1
0.473
RUB-POS-1325a9ea-3
0.473
ADA-UCB-6c2cb422-1
0.472
EDG-MED-0da5ad92-17
0.471
JOH-UNI-abfda500-5
0.471
ANN-UNI-98d2bf15-3
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JOH-UNI-abfda500-4
0.471
ALP-POS-95b75b4d-6
0.471
EDG-MED-0da5ad92-14
0.471
EDJ-MED-49816e9b-5
0.471
PET-UNK-158bee2a-4
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JIN-POS-6dc588a4-11
0.467
RUB-POS-1325a9ea-15
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MAT-POS-bb423b95-9
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EDG-MED-0da5ad92-15
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VLA-UNK-411a133b-2
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PET-UNK-158bee2a-2
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PET-UNK-e274cad4-1
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JIN-POS-6dc588a4-18
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RUB-POS-1325a9ea-14
0.461
JIN-POS-6dc588a4-13
0.459
RUB-POS-1325a9ea-13
0.459
PET-UNK-e274cad4-6
0.459
RUB-POS-1325a9ea-19
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MAT-POS-bb423b95-5
0.458
JIN-POS-6dc588a4-3
0.458
MIC-UNK-d935700b-1
0.458
EDG-MED-0da5ad92-18
0.457
NAU-LAT-e1818702-7
0.456
VLA-UNK-411a133b-1
0.456
JAG-UCB-a3ef7265-17
0.456
PET-UNK-f4e47ebd-1
0.456
PET-UNK-b1ef24dc-4
0.453
PET-UNK-b1ef24dc-3
0.453
MAT-POS-f7918075-5
0.453
JIN-POS-6dc588a4-10
0.453
MAR-TRE-67513f76-6
0.453
PET-UNK-158bee2a-1
0.451
VLA-UNK-4cf5aa07-1
0.451
EDJ-MED-00c1612e-1
0.449
PET-UNK-8df914d1-1
0.449
JAN-GHE-5a013bed-11
0.448
JIN-POS-6dc588a4-23
0.447
MAT-POS-f7918075-3
0.447
MIC-UNK-08cd9c58-1
0.447
MIC-UNK-50cce87d-2
0.446
MAK-UNK-6ca90168-23
0.444
PET-UNK-6314f867-2
0.443
MIC-UNK-50cce87d-4
0.442
RUB-POS-1325a9ea-9
0.442
JIN-POS-6dc588a4-6
0.440
PET-UNK-b1ef24dc-2
0.440
PET-UNK-b1ef24dc-1
0.440
RUB-POS-1325a9ea-12
0.440
EDJ-MED-a364e151-3
0.440
EDJ-MED-50fe53e8-2
0.440
MAT-POS-f7918075-6
0.440
SAM-UNK-2684b532-12
0.438
SAM-UNK-2684b532-11
0.438
JIN-POS-6dc588a4-4
0.438
PET-UNK-8df914d1-5
0.438
RUB-POS-1325a9ea-2
0.434
JIN-POS-6dc588a4-14
0.434
RUB-POS-1325a9ea-11
0.434
MAT-POS-bb423b95-2
0.434
MIC-UNK-50cce87d-1
0.434
EDJ-MED-c8e7a002-16
0.434
JIN-POS-6dc588a4-16
0.434
ALP-POS-95b75b4d-7
0.432