Molecular Properties | |
SMILES: | CC(NC(=O)CN1CCN(C2CC2)C1=O)(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
MW: | 525.13 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 94.64 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 7.58287640712161 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-03-03 |
Long aliphatic chain
Dipeptide
MAT-POS-e9e99895-10
0.653
MAT-POS-e9e99895-12
0.643
MAT-POS-e9e99895-11
0.633
MAT-POS-e9e99895-13
0.600
MAT-POS-fce787c2-9
0.585
MAT-POS-e9e99895-3
0.579
MAT-POS-e9e99895-9
0.564
MAT-POS-e9e99895-5
0.562
MAT-POS-e9e99895-2
0.553
MAT-POS-e9e99895-4
0.550
MAT-POS-e9e99895-7
0.548
MAT-POS-e9e99895-8
0.543
EDJ-MED-ee07cf00-18
0.530
KAD-UNI-8a629cb0-13
0.492
ALP-UNI-dbbfd3db-3
0.492
MAT-POS-e9e99895-1
0.480
MAT-POS-fce787c2-7
0.480
MAT-POS-fce787c2-6
0.460
RAL-THA-8416115c-10
0.412
MAT-POS-23a8a11a-1
0.412
RAL-THA-a9c31980-4
0.410
EDJ-MED-c99b2211-2
0.410
MAT-POS-de59a476-4
0.405
EDJ-MED-015fb6b4-3
0.405
MAT-POS-1f3f1a6f-4
0.402
RAL-THA-2d450e86-24
0.400
PET-UNK-dd44aeb6-2
0.400
NAU-LAT-2fed8305-1
0.400
RAL-THA-2d450e86-8
0.396
JUL-TUD-06b2044f-54
0.395
DAR-DIA-0f2f46c9-12
0.391
MAT-POS-fce787c2-3
0.390
MAT-POS-de59a476-6
0.390
MIC-UNK-45817b9b-2
0.388
PET-UNK-8c422e11-1
0.387
MAT-POS-de59a476-5
0.387
RAL-THA-8416115c-7
0.387
RAL-THA-8416115c-9
0.385
MAT-POS-de59a476-3
0.384
ADA-UCB-dc2b944c-17
0.383
RAL-THA-8416115c-8
0.383
ALP-POS-fab80cf2-1
0.383
VLA-UCB-1dbca3b4-16
0.383
DAR-DIA-9f765dc6-7
0.382
DAR-DIA-9f765dc6-8
0.382
DAR-DIA-9f765dc6-9
0.382
RAL-THA-8416115c-3
0.381
RAL-THA-a9c31980-6
0.381
PET-UNK-8c422e11-2
0.381
NAU-LAT-2fed8305-4
0.380
MAT-POS-de59a476-2
0.380
MIC-UNK-cdc2493e-17
0.379
MAT-POS-fce787c2-10
0.379
MAT-POS-a54ce14d-3
0.377
MAT-POS-a54ce14d-2
0.377
EDJ-MED-015fb6b4-2
0.377
MAT-POS-acfe5bae-2
0.377
MIC-UNK-37660950-4
0.376
RAL-THA-8416115c-4
0.375
DAR-DIA-9f765dc6-12
0.374
DAR-DIA-9f765dc6-10
0.374
DAR-DIA-9f765dc6-11
0.374
MIC-UNK-8758c41d-2
0.374
DAR-DIA-0f2f46c9-5
0.373
ALP-POS-966f8da6-2
0.373
EDG-MED-5d232de5-3
0.373
EDG-MED-5d232de5-4
0.373
DAR-DIA-0f2f46c9-6
0.373
RAL-THA-c11c1343-1
0.373
DAR-DIA-0f2f46c9-4
0.373
BEN-DND-6de5dfa0-11
0.371
ALP-POS-6747fa38-1
0.371
NAU-LAT-a5c7d7cb-1
0.371
NIR-THE-d08c3b48-1
0.371
VLA-UCB-05e51b3f-1
0.371
MIC-UNK-cdc2493e-14
0.371
RAL-THA-2d450e86-9
0.370
MAT-POS-fce787c2-11
0.370
RAL-THA-2d450e86-15
0.370
RAL-THA-2d450e86-6
0.370
RAL-THA-4aa06b95-6
0.370
MIC-UNK-cdc2493e-18
0.370
MAK-UNK-c749d764-4
0.369
MAT-POS-fce787c2-1
0.369
MAT-POS-1f3f1a6f-3
0.369
RAL-THA-2d450e86-36
0.369
VLA-UNK-b9c208fe-2
0.368
EDJ-MED-50011917-1
0.368
MIC-UNK-91acba05-6
0.368
RAL-THA-8416115c-2
0.368
DAR-DIA-0587064e-3
0.368
EDG-MED-5d232de5-6
0.368
EDG-MED-5d232de5-5
0.368
EDJ-MED-c99b2211-1
0.367
MIC-UNK-37660950-3
0.367
RAL-THA-a9c31980-2
0.367
MAT-POS-fce787c2-5
0.367
NAU-LAT-2fed8305-3
0.367
VLA-UNK-9a7dc93f-1
0.367
ALP-POS-f13221e1-2
0.367