Molecular Properties | |
SMILES: | O=C1CN(c2ccc(CNCC3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)cc2)CCN1 |
MW: | 555.2 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 95.59 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.55137209826837 |
Order Status | |
Shipped: | 2021-05-06 |
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (5)
anil_di_alk_D(198)
MAT-POS-24589f88-15
1.000
KAD-UNI-cb0f2bbc-2
0.819
MAT-POS-24589f88-12
0.692
KAD-UNI-b13decd3-3
0.692
KAD-UNI-cb0f2bbc-18
0.677
MAT-POS-61f37a1a-9
0.677
EDJ-MED-f893e2a1-7
0.664
EDJ-MED-f893e2a1-1
0.648
EDJ-MED-15e90dfc-1
0.648
EDJ-MED-f893e2a1-8
0.638
EDJ-MED-f893e2a1-6
0.637
EDJ-MED-15e90dfc-4
0.634
EDJ-MED-f893e2a1-5
0.634
MAT-POS-e6dd326d-11
0.627
KAD-UNI-cb0f2bbc-19
0.624
MAT-POS-a3f7f96a-8
0.624
EDJ-MED-8c98ee63-2
0.624
KAD-UNI-b13decd3-10
0.623
KAD-UNI-b13decd3-7
0.621
KAD-UNI-b13decd3-11
0.621
KAD-UNI-b13decd3-4
0.620
MAT-POS-7174c657-4
0.620
MAT-POS-24589f88-9
0.620
MAT-POS-e6dd326d-2
0.617
MAT-POS-45b13633-2
0.617
KAD-UNI-cb0f2bbc-11
0.617
MAT-POS-a3f7f96a-7
0.617
KAD-UNI-cb0f2bbc-23
0.615
MAT-POS-24589f88-13
0.615
KAD-UNI-b13decd3-6
0.615
MAT-POS-7174c657-1
0.615
MAT-POS-5f1400cf-2
0.615
MAT-POS-61f37a1a-6
0.614
KAD-UNI-cb0f2bbc-16
0.614
EDJ-MED-424a8a89-1
0.612
MAT-POS-e6dd326d-13
0.612
EDJ-MED-15e90dfc-3
0.612
MAT-POS-e6dd326d-10
0.612
EDJ-MED-15e90dfc-6
0.611
MAT-POS-e6dd326d-9
0.610
EDJ-MED-15e90dfc-7
0.607
EDJ-MED-f893e2a1-3
0.607
KAD-UNI-cb0f2bbc-17
0.603
MAT-POS-61f37a1a-8
0.603
KAD-UNI-cb0f2bbc-15
0.600
KAD-UNI-b13decd3-2
0.600
KAD-UNI-b13decd3-9
0.600
MAT-POS-e6dd326d-8
0.600
MAT-POS-24589f88-8
0.600
KAD-UNI-cb0f2bbc-7
0.600
MAT-POS-a3f7f96a-6
0.600
KAD-UNI-cb0f2bbc-6
0.600
MAT-POS-e6dd326d-12
0.600
KAD-UNI-cb0f2bbc-22
0.598
MAT-POS-61f37a1a-3
0.598
EDJ-MED-40433386-10
0.598
DAR-DIA-ecdbc7dd-16
0.598
MAT-POS-a3f7f96a-9
0.597
KAD-UNI-cb0f2bbc-9
0.597
EDJ-MED-8c98ee63-1
0.597
MAT-POS-e6dd326d-4
0.597
KAD-UNI-cb0f2bbc-13
0.596
MAT-POS-61f37a1a-15
0.596
MAT-POS-24589f88-7
0.596
KAD-UNI-cb0f2bbc-5
0.596
MAT-POS-e6dd326d-6
0.595
MAT-POS-2bb0cf2b-1
0.595
EDG-MED-971238d3-5
0.595
MAT-POS-45b13633-1
0.595
MAT-POS-e6dd326d-1
0.595
EDG-MED-70ae9412-2
0.593
EDJ-MED-4c7486ba-1
0.593
EDJ-MED-4c7486ba-4
0.593
EDJ-MED-424a8a89-2
0.592
KAD-UNI-b13decd3-1
0.590
KAD-UNI-cb0f2bbc-20
0.590
MAT-POS-5f1400cf-1
0.590
EDJ-MED-40433386-4
0.589
EDJ-MED-f893e2a1-9
0.589
EDJ-MED-f893e2a1-10
0.587
EDJ-MED-f893e2a1-4
0.587
KAD-UNI-cb0f2bbc-4
0.587
EDJ-MED-15e90dfc-2
0.584
KAD-UNI-b13decd3-12
0.583
EDJ-MED-f893e2a1-2
0.583
MAT-POS-e6dd326d-7
0.581
DAR-DIA-ecdbc7dd-13
0.580
MAT-POS-24589f88-6
0.577
KAD-UNI-cb0f2bbc-8
0.577
DAR-DIA-ecdbc7dd-5
0.577
MAT-POS-e6dd326d-5
0.577
EDJ-MED-15e90dfc-5
0.576
ALP-UNI-0676e700-24
0.576
KAD-UNI-cb0f2bbc-21
0.576
MAT-POS-24589f88-10
0.576
ALP-UNI-0676e700-12
0.575
MAT-POS-9db1e783-2
0.573
EDG-MED-971238d3-2
0.573
MAT-POS-61f37a1a-7
0.572
KAD-UNI-cb0f2bbc-24
0.572