Molecular Properties | |
SMILES: | Cc1nn(C(C)C)c(C)c1CC(=O)Nc1nncn1C1CC1 |
MW: | 302.19 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 77.63 |
cLogP: | 2.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z2226597833 |
Enamine REAL: | Z2226597833 |
Enamine Extended REAL: | s_22____9965356____10428916 |
Mcule: | MCULE-6307351852 |
MolPort: | MolPort-046-437-186 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-01 |
AAR-POS-d2a4d1df-1
NAU-LAT-e1818702-1
0.473
JAN-GHE-f4ca5a00-12
0.473
JAG-UCB-c61058a9-31
0.409
JAG-UCB-c61058a9-8
0.395
BRU-CON-67e07230-1
0.395
NAU-LAT-e1818702-2
0.395
JAG-UCB-c61058a9-12
0.367
ERI-UCB-9c7ec71b-1
0.352
JAN-GHE-f4ca5a00-4
0.352
JOH-UNI-9ad7e798-1
0.352
ANT-OPE-bf404da3-1
0.349
JAN-GHE-f4ca5a00-6
0.349
EDG-MED-a20b5824-1
0.348
NAU-LAT-e1818702-4
0.345
NAU-LAT-8502cac5-4
0.341
ADA-UCB-b1b30a00-9
0.341
BRU-THA-a358fbdd-5
0.337
EDG-MED-fe7487f8-10
0.337
JAN-GHE-f4ca5a00-11
0.337
NAU-LAT-8502cac5-5
0.337
JAG-UCB-c61058a9-15
0.333
NAU-LAT-8502cac5-3
0.333
EDG-MED-fe7487f8-5
0.333
BRU-THA-a358fbdd-6
0.333
JAN-GHE-299e5c7e-3
0.333
NAU-LAT-e1818702-6
0.333
JAG-UCB-c61058a9-18
0.330
NAU-LAT-8502cac5-2
0.330
MIC-UNK-deda7a44-5
0.330
NAU-LAT-e1818702-3
0.329
RAL-THA-6ca1b233-2
0.326
RAL-THA-f8a0f917-2
0.326
RAL-THA-5ed3c24e-2
0.326
NAU-LAT-e1818702-5
0.326
ANT-OPE-7b52af4b-1
0.326
EDJ-MED-fb79a796-1
0.323
EDJ-MED-fb79a796-2
0.323
EDG-MED-fe7487f8-2
0.323
EDG-MED-fe7487f8-6
0.323
EDG-MED-fe7487f8-11
0.323
MIK-NEW-9ae4bfeb-1
0.323
BRU-THA-a358fbdd-4
0.323
EDG-MED-4b32601a-1
0.323
RAL-THA-f8a0f917-3
0.323
MIK-NEW-7f99bfc4-1
0.323
RAL-THA-6ca1b233-4
0.323
RAL-THA-5ed3c24e-1
0.322
EDG-MED-fe7487f8-4
0.322
BRU-THA-a358fbdd-2
0.322
RAL-THA-f8a0f917-1
0.319
JAG-UCB-a3ef7265-20
0.319
JAG-UCB-119787ef-1
0.319
MAT-POS-968e8d9c-1
0.319
RAL-THA-6ca1b233-3
0.319
RAL-THA-5ed3c24e-3
0.319
EDJ-MED-2c295496-1
0.318
BRU-THA-a358fbdd-7
0.318
NAU-LAT-8502cac5-8
0.318
EDJ-MED-0e996074-1
0.318
JAN-GHE-299e5c7e-4
0.316
BAR-COM-ace1b61b-2
0.316
MAT-POS-e478a234-1
0.316
JAN-GHE-299e5c7e-1
0.316
JAG-UCB-c61058a9-19
0.315
JAG-UCB-c61058a9-38
0.313
EDG-MED-fe7487f8-7
0.312
MIC-UNK-deda7a44-9
0.310
JOH-UNI-766085ab-1
0.309
JAG-UCB-c61058a9-34
0.308
ANT-OPE-06da2058-1
0.308
BRU-THA-a358fbdd-3
0.304
JAG-UCB-c61058a9-17
0.304
BRU-THA-a358fbdd-1
0.304
JAG-UCB-c61058a9-39
0.304
JAN-GHE-299e5c7e-5
0.303
JAG-UCB-a3ef7265-18
0.303
JAG-UCB-a3ef7265-2
0.301
JOH-UNI-04a01eac-1
0.301
EDG-MED-fe7487f8-3
0.298
RAL-THA-6ca1b233-1
0.298
JAG-UCB-c61058a9-37
0.297
MIC-UNK-4ce148f7-1
0.295
EDJ-MED-fb79a796-3
0.295
EDG-MED-fe7487f8-1
0.295
ANT-OPE-3d7cb11b-3
0.295
EDG-MED-4b32601a-2
0.295
BAR-COM-ace1b61b-4
0.293
ADA-UCB-b1b30a00-10
0.291
ALP-POS-beec22ab-1
0.291
MIC-UNK-4ce148f7-2
0.291
BAR-COM-df4db19c-1
0.291
JAG-UCB-c61058a9-40
0.291
MIC-UNK-4ce148f7-3
0.291
BAR-COM-ace1b61b-1
0.289
BAR-COM-ace1b61b-3
0.287
JAN-GHE-299e5c7e-2
0.287
JAG-UCB-c61058a9-35
0.286
ERI-UCB-9c7ec71b-4
0.284
MIC-UNK-deda7a44-8
0.283
PAU-WIS-d4065696-3
0.282