Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)[C@@H]1COc2ccc(Cl)cc21 |
MW: | 304.07 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
MIC-UNK-deda7a44-5
1.000
NAU-LAT-8502cac5-2
1.000
JAG-UCB-c61058a9-19
0.722
JAG-UCB-a3ef7265-20
0.716
JAG-UCB-119787ef-1
0.716
MAT-POS-968e8d9c-1
0.716
ERI-UCB-9c7ec71b-4
0.654
EDG-MED-4b32601a-1
0.646
EDG-MED-fe7487f8-2
0.646
EDG-MED-fe7487f8-8
0.633
ADA-UCB-b1b30a00-7
0.627
ROB-UNI-569bc02e-1
0.627
MIK-NEW-7f99bfc4-1
0.625
RAL-THA-f8a0f917-3
0.625
JAG-UCB-c61058a9-1
0.608
JAG-UCB-47403a7c-1
0.608
JAN-GHE-299e5c7e-5
0.600
NAU-LAT-8502cac5-6
0.598
ERI-UCB-a38d41be-1
0.590
JAG-UCB-c61058a9-27
0.582
JAN-GHE-299e5c7e-4
0.581
JAN-GHE-299e5c7e-3
0.577
JAG-UCB-c61058a9-3
0.568
EDG-MED-fe7487f8-11
0.566
JAG-UCB-c61058a9-5
0.564
JOH-UNI-d0d90dc1-3
0.554
JAG-UCB-c61058a9-21
0.549
NAU-LAT-8502cac5-3
0.549
EDG-MED-fe7487f8-4
0.537
RAL-THA-5ed3c24e-1
0.537
JAG-UCB-c61058a9-14
0.531
JAG-UCB-c61058a9-17
0.530
BRU-THA-a358fbdd-3
0.530
RAL-THA-5ed3c24e-3
0.530
JAG-UCB-c61058a9-34
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RAL-THA-5ed3c24e-2
0.518
EDG-MED-fe7487f8-3
0.518
EDG-MED-a20b5824-1
0.512
RAL-THA-6ca1b233-3
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EDG-MED-fe7487f8-5
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BAR-COM-ace1b61b-1
0.500
JAG-UCB-c61058a9-32
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JAN-GHE-299e5c7e-1
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RAL-THA-6ca1b233-2
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RAL-THA-6ca1b233-1
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JAG-UCB-c61058a9-35
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RAL-THA-6ca1b233-4
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EDG-MED-fe7487f8-1
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EDG-MED-4b32601a-2
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ANT-OPE-3d7cb11b-3
0.494
JAG-UCB-c61058a9-38
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RAL-THA-b74298ba-1
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EDJ-MED-fb79a796-2
0.484
RAL-THA-f8a0f917-2
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JOH-UNI-9ad7e798-1
0.482
JAN-GHE-f4ca5a00-4
0.482
ERI-UCB-9c7ec71b-1
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BRU-THA-a358fbdd-7
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EDJ-MED-2c295496-1
0.482
EDJ-MED-0e996074-1
0.482
EDG-MED-fe7487f8-14
0.477
RAL-THA-f8a0f917-1
0.477
EDG-MED-fe7487f8-9
0.477
RAL-THA-b74298ba-3
0.477
ALF-EVA-a24cc7ce-8
0.472
JOH-UNI-04a01eac-1
0.471
MAT-POS-f7918075-2
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MAT-POS-bbbbc21a-2
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EDJ-MED-12c115cc-1
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EDJ-MED-12c115cc-2
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JAG-UCB-a3ef7265-3
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JAG-UCB-c61058a9-37
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EDJ-MED-fb79a796-1
0.468
ALF-EVA-a24cc7ce-4
0.467
MAT-POS-e478a234-1
0.467
ANT-OPE-06da2058-1
0.465
NAU-LAT-8502cac5-5
0.465
BRU-THA-a358fbdd-5
0.465
MAR-UCB-6ab2ec87-5
0.461
RAL-THA-b74298ba-2
0.461
NAU-LAT-8502cac5-11
0.460
BAR-COM-ace1b61b-3
0.457
ALF-EVA-a24cc7ce-1
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EDG-MED-fe7487f8-13
0.453
BAR-COM-ace1b61b-4
0.452
RAL-THA-b74298ba-4
0.451
BAR-COM-ace1b61b-2
0.447
NAU-LAT-e1818702-3
0.446
EDG-MED-fe7487f8-7
0.446
EDG-MED-fe7487f8-6
0.444
JAG-UCB-c61058a9-12
0.444
MIK-NEW-9ae4bfeb-1
0.444
JOH-UNI-766085ab-1
0.444
EDJ-MED-fb79a796-3
0.444
BRU-THA-a358fbdd-4
0.444
JAG-UCB-c61058a9-8
0.443
JAN-GHE-299e5c7e-2
0.442
MAT-UCB-70f7c0f7-6
0.441
RAL-THA-04c5403f-2
0.441