Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CNCc2c[nH]c(=O)[nH]c2=O)CCOc2cc(Cl)ccc21 |
MW: | 491.14 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 128.97 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-07 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ALP-POS-a0a4abd7-1
0.730
ALP-POS-a0a4abd7-2
0.673
ALP-POS-a0a4abd7-5
0.636
ALP-POS-a0a4abd7-4
0.615
ALP-POS-a0a4abd7-3
0.612
EDJ-MED-f893e2a1-7
0.548
MAT-POS-e6dd326d-11
0.547
KAD-UNI-cb0f2bbc-15
0.539
EDJ-MED-8c98ee63-2
0.536
KAD-UNI-b13decd3-12
0.535
EDJ-MED-15e90dfc-1
0.532
EDJ-MED-f893e2a1-1
0.532
EDJ-MED-4c7486ba-6
0.532
EDJ-MED-4c7486ba-3
0.532
MAT-POS-e6dd326d-4
0.530
EDJ-MED-f893e2a1-8
0.530
KAD-UNI-b13decd3-9
0.527
KAD-UNI-b13decd3-3
0.524
MAT-POS-24589f88-12
0.524
MAT-POS-45b13633-2
0.522
MAT-POS-e6dd326d-2
0.522
MAT-POS-e6dd326d-8
0.521
EDJ-MED-15e90dfc-4
0.520
MAT-POS-e6dd326d-9
0.517
MAT-POS-e6dd326d-6
0.517
MAT-POS-e6dd326d-12
0.508
EDJ-MED-40433386-10
0.508
MAT-POS-e6dd326d-10
0.508
EDJ-MED-424a8a89-1
0.508
MAT-POS-e6dd326d-13
0.508
EDJ-MED-15e90dfc-3
0.508
MAT-POS-7174c657-1
0.508
KAD-UNI-cb0f2bbc-23
0.508
MAT-POS-24589f88-13
0.508
EDG-MED-70ae9412-2
0.504
EDJ-MED-15e90dfc-7
0.504
EDJ-MED-4c7486ba-4
0.504
EDJ-MED-4c7486ba-1
0.504
EDJ-MED-f893e2a1-3
0.504
KAD-UNI-cb0f2bbc-2
0.504
KAD-UNI-cb0f2bbc-13
0.504
MAT-POS-61f37a1a-15
0.504
EDG-MED-971238d3-5
0.500
MAT-POS-5d65ec79-1
0.500
MAT-POS-2bb0cf2b-1
0.500
MAT-POS-f9802937-3
0.500
EDJ-MED-40433386-5
0.500
MAT-POS-7174c657-4
0.500
EDJ-MED-f893e2a1-6
0.500
MAT-POS-e6dd326d-1
0.500
MAT-POS-45b13633-1
0.500
MAT-POS-24589f88-9
0.500
KAD-UNI-b13decd3-4
0.500
MAT-POS-f9802937-4
0.500
EDJ-MED-40433386-4
0.500
EDJ-MED-f893e2a1-4
0.500
EDJ-MED-424a8a89-2
0.500
EDJ-MED-15e90dfc-6
0.500
KAD-UNI-cb0f2bbc-4
0.496
KAD-UNI-b13decd3-8
0.496
KAD-UNI-b13decd3-2
0.496
MAT-POS-61f37a1a-11
0.496
EDJ-MED-8c98ee63-1
0.496
DAR-DIA-ecdbc7dd-16
0.496
KAD-UNI-cb0f2bbc-9
0.493
MAT-POS-a3f7f96a-9
0.493
KAD-UNI-b13decd3-10
0.493
KAD-UNI-cb0f2bbc-18
0.492
MAT-POS-61f37a1a-9
0.492
EDJ-MED-4c7486ba-9
0.492
EDJ-MED-4c7486ba-12
0.492
MAT-POS-3b97339c-1
0.492
EDJ-MED-40433386-3
0.492
EDJ-MED-40433386-7
0.492
MAT-POS-e6dd326d-7
0.492
EDG-MED-971238d3-6
0.492
RAL-THA-58fba2bc-1
0.492
EDG-MED-971238d3-10
0.492
MAT-POS-45b13633-4
0.492
EDG-MED-971238d3-9
0.492
JAG-UCB-706446eb-3
0.492
EDG-MED-971238d3-2
0.491
MAT-POS-9db1e783-2
0.491
KAD-UNI-cb0f2bbc-22
0.488
MAT-POS-61f37a1a-3
0.488
EDJ-MED-f893e2a1-10
0.488
EDJ-MED-f893e2a1-9
0.488
MAT-POS-e6dd326d-5
0.488
MAT-POS-45b13633-3
0.487
MAT-POS-e6dd326d-3
0.487
DAR-DIA-ecdbc7dd-13
0.487
KAD-UNI-cb0f2bbc-19
0.486
MAT-POS-a3f7f96a-8
0.486
KAD-UNI-cb0f2bbc-16
0.485
MAT-POS-61f37a1a-6
0.485
MAT-POS-5f1400cf-2
0.485
KAD-UNI-b13decd3-6
0.485
EDJ-MED-f893e2a1-2
0.484
EDJ-MED-15e90dfc-2
0.484
RAL-THA-e002e396-11
0.483