Molecule Details
| Molecular Properties | |
| SMILES: | CC1CCNC(=O)C1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 280.1 |
| Fraction sp3: | 0.43 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 1.52 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-1510672974 |
| MolPort: | MolPort-047-548-740 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 43.7142909815475 |
| IC50 (µM) - RapidFire: | 99.0 |
| pIC50 (µM) - Fluorescence | 4.35937656120327 |
| Order Status | |
| Ordered: | 2020-07-28 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ALP-POS-90e38439-2
0.613
MAT-POS-500ca5bf-2
0.613
MIC-UNK-42806bd5-1
0.613
ALP-POS-8b8a49e1-8
0.544
MIC-UNK-4c7b8ba7-1
0.544
MIC-UNK-8373f97b-4
0.528
MIC-UNK-8373f97b-5
0.493
MIC-UNK-42806bd5-2
0.485
ALP-POS-8b8a49e1-5
0.485
ALP-POS-90e38439-3
0.485
MIC-UNK-fc94cdb5-1
0.485
ALP-POS-8b8a49e1-7
0.478
MAT-POS-0bc33984-2
0.444
MIC-UNK-13557a72-1
0.431
ALP-POS-90e38439-1
0.429
NAU-LAT-a5c7d7cb-13
0.429
VLA-UCB-1dbca3b4-1
0.429
ALP-POS-8b8a49e1-6
0.403
MIC-UNK-d935700b-2
0.400
NAU-LAT-a5c7d7cb-14
0.400
JOH-UNI-6fede743-3
0.397
MAT-POS-bb423b95-6
0.397
EDG-MED-0da5ad92-14
0.392
JAN-GHE-5a013bed-11
0.389
EDG-MED-0da5ad92-2
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EDG-MED-0da5ad92-15
0.387
JAN-GHE-f4ca5a00-16
0.385
ABI-SAT-4d06482b-2
0.382
JAN-GHE-5a013bed-6
0.380
JAN-GHE-5a013bed-9
0.380
JAN-GHE-5a013bed-4
0.378
EDJ-MED-49816e9b-2
0.378
EDG-MED-0da5ad92-21
0.378
JAN-GHE-5a013bed-5
0.377
MAT-POS-bb423b95-4
0.375
ALP-POS-95b75b4d-5
0.375
JAN-GHE-f4ca5a00-12
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NAU-LAT-e1818702-1
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JAN-GHE-5a013bed-8
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MIC-UNK-66895286-1
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PET-UNK-8df914d1-3
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TRY-UNI-714a760b-6
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MIC-UNK-d935700b-1
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PET-UNK-8df914d1-5
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JAN-GHE-5a013bed-1
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EDG-MED-0da5ad92-18
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JAN-GHE-f4ca5a00-17
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JAN-GHE-f4ca5a00-14
0.362
MAT-POS-14ad9fe9-1
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EDG-MED-0da5ad92-13
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NAU-LAT-e1818702-7
0.360
JAG-UCB-a3ef7265-17
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PET-UNK-8df914d1-4
0.360
JAG-UCB-a3ef7265-15
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ALP-POS-95b75b4d-8
0.360
SAM-UNK-2684b532-13
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NAM-UNK-f7c77a48-4
0.360
EDG-MED-0da5ad92-16
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MAT-POS-4211dce8-1
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MAT-POS-f7918075-7
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JAN-GHE-5a013bed-7
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NAU-LAT-e1818702-10
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EDJ-MED-49816e9b-3
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EDJ-MED-49816e9b-5
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ALP-POS-95b75b4d-6
0.355
EDG-MED-0da5ad92-12
0.355
MAT-POS-bb423b95-5
0.350
MIC-UNK-b12b7f76-2
0.350
PET-UNK-bbe8d7ff-1
0.349
JAN-GHE-5a013bed-10
0.347
VLA-UCB-00f2c2b3-7
0.346
NAM-UNK-f7c77a48-3
0.342
ANN-UNI-98d2bf15-3
0.342
EDG-MED-0da5ad92-17
0.342
AGN-NEW-c7b24fe3-5
0.342
JOH-UNI-abfda500-4
0.342
AGN-NEW-c7b24fe3-4
0.342
JAN-GHE-83b26c96-15
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EDG-MED-0da5ad92-1
0.342
TRY-UNI-714a760b-3
0.342
JOH-UNI-abfda500-5
0.342
VLA-UCB-1dbca3b4-2
0.341
EDJ-MED-c8e7a002-12
0.341
TRY-UNI-9f475305-7
0.341
MAK-UNK-6ca90168-23
0.338
AGN-NEW-c7b24fe3-1
0.338
JAN-GHE-83b26c96-16
0.338
ALP-POS-0c2c77e1-1
0.337
MAT-POS-e1b5ac6b-1
0.337
EDJ-MED-a364e151-3
0.337
MAT-POS-bb423b95-3
0.337
EDJ-MED-c8e7a002-14
0.337
SAM-UNK-2684b532-12
0.333
SAM-UNK-2684b532-11
0.333
MAT-POS-199e2e7c-1
0.333
EDJ-MED-c8e7a002-16
0.333
MAT-POS-199e2e7c-2
0.333
EDJ-MED-c8e7a002-15
0.329
MAT-POS-f7918075-4
0.329
EDJ-MED-c8e7a002-2
0.329