Molecule Details
| Molecular Properties | |
| SMILES: | COc1ncc(NC(=O)Cc2cccc(Cl)c2)c2ccccc12 |
| MW: | 326.08 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 4.08 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-07 |
ADA-UCB-6c2cb422-1
RUB-POS-1325a9ea-17
0.625
JIN-POS-6dc588a4-24
0.608
JOH-UNI-6fede743-1
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JIN-POS-6dc588a4-18
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ADA-UCB-6c2cb422-1
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PET-UNK-f4e47ebd-2
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MAT-POS-bb423b95-9
0.519
SAM-UNK-2684b532-13
0.514
ALP-POS-95b75b4d-8
0.514
JIN-POS-6dc588a4-3
0.513
EDJ-MED-50fe53e8-2
0.513
MAT-POS-f7918075-6
0.513
RUB-POS-1325a9ea-5
0.506
MAT-POS-c20a539d-2
0.506
PET-UNK-f4e47ebd-1
0.506
PET-UNK-b38839dc-2
0.506
MAT-POS-f7918075-3
0.500
MIC-UNK-08cd9c58-1
0.500
EDJ-MED-00c1612e-1
0.500
PET-UNK-8df914d1-1
0.500
MAT-POS-4211dce8-1
0.500
MAT-POS-c20a539d-1
0.494
JIN-POS-6dc588a4-13
0.494
MAT-POS-bb423b95-6
0.487
JOH-UNI-6fede743-3
0.487
JIN-POS-6dc588a4-19
0.487
TRY-UNI-714a760b-3
0.487
EDG-MED-0da5ad92-17
0.487
MAT-POS-29385cc1-2
0.482
MAT-POS-bb423b95-1
0.481
TRY-UNI-714a760b-6
0.480
JAN-GHE-5a013bed-10
0.479
PET-UNK-b38839dc-1
0.477
MAT-POS-29385cc1-1
0.477
MIC-UNK-50cce87d-4
0.476
RUB-POS-1325a9ea-9
0.476
PET-UNK-7f7e354d-7
0.475
JIN-POS-6dc588a4-5
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ABI-SAT-4d06482b-2
0.474
EDG-MED-0da5ad92-16
0.473
EDG-MED-0da5ad92-21
0.473
MAT-POS-90fd5f68-41
0.471
MAT-POS-f7918075-5
0.469
JIN-POS-6dc588a4-10
0.469
PET-UNK-b1ef24dc-3
0.469
EDG-MED-0da5ad92-14
0.467
ALP-POS-95b75b4d-6
0.467
MAT-POS-90fd5f68-39
0.465
RUB-POS-1325a9ea-15
0.463
AGN-NEW-c7b24fe3-1
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PET-UNK-8df914d1-3
0.461
RUB-POS-1325a9ea-4
0.458
MAT-POS-c20a539d-6
0.458
MAT-POS-29385cc1-3
0.458
JIN-POS-6dc588a4-6
0.457
RUB-POS-1325a9ea-13
0.457
JIN-POS-6dc588a4-22
0.457
MAT-POS-e1b5ac6b-1
0.457
ROB-UNI-daaf9793-1
0.457
RUB-POS-1325a9ea-19
0.456
MIC-UNK-d935700b-1
0.456
MAT-POS-bb423b95-5
0.456
PET-UNK-7fb4f80a-3
0.456
EDJ-MED-97c1bf5c-2
0.453
PET-UNK-d899bab6-3
0.453
RUB-POS-1325a9ea-3
0.451
JIN-POS-6dc588a4-21
0.451
JIN-POS-6dc588a4-12
0.451
PET-UNK-b1ef24dc-4
0.451
MIC-UNK-50cce87d-3
0.451
MAT-POS-bb423b95-8
0.451
PET-UNK-7fb4f80a-4
0.451
NAU-LAT-a5c7d7cb-10
0.450
VLA-UCB-00f2c2b3-7
0.450
EDJ-MED-c8e7a002-11
0.450
JOH-UNI-abfda500-4
0.449
ANN-UNI-98d2bf15-3
0.449
JOH-UNI-abfda500-5
0.449
EDG-MED-0da5ad92-12
0.447
JAN-GHE-5a013bed-8
0.446
JIN-POS-6dc588a4-11
0.446
MAT-POS-90fd5f68-31
0.446
MAT-POS-bb423b95-4
0.444
ALP-POS-95b75b4d-5
0.444
EDJ-MED-6ab52e52-1
0.444
MAT-POS-90fd5f68-23
0.444
JIN-POS-6dc588a4-7
0.444
MIC-UNK-50cce87d-2
0.444
MAT-POS-c20a539d-3
0.443
VLA-UNK-4cf5aa07-2
0.443
MAK-UNK-6ca90168-23
0.443
MAT-POS-c0609ef7-1
0.442
MAT-POS-90fd5f68-25
0.442
MAT-POS-90fd5f68-4
0.442
PET-UNK-d899bab6-1
0.442
MAT-POS-c20a539d-4
0.442
MAT-POS-90fd5f68-7
0.442
MAT-POS-90fd5f68-22
0.442
JOH-UNI-3fc3434e-8
0.440
JOH-UNI-ee5ed7c8-8
0.440