Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1 |
MW: | 286.06 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.81 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z73230289 |
Enamine Extended REAL: | s_22____57731____13206668 |
Mcule: | MCULE-8975483875 |
Mcule Ultimate: | YKPILQYKTOXPJC-UHFFFAOYSA-N |
MolPort: | MolPort-004-874-794 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 29.4299695167244 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
BEN-DND-61647d40-12
1.000
MAT-POS-bfb445d4-1
1.000
MAT-POS-3b92565d-14
1.000
MAT-POS-06036648-9
0.627
MAT-POS-3b92565d-13
0.581
BEN-DND-02317c5c-11
0.569
BEN-DND-61647d40-13
0.569
JIN-POS-6dc588a4-1
0.569
BEN-DND-61647d40-2
0.551
DAR-DIA-667e571f-1
0.540
BEN-DND-61647d40-11
0.527
JAG-UCB-252a2f58-1
0.521
MAT-POS-06036648-3
0.494
EDJ-MED-06d94977-2
0.494
MAT-POS-06036648-5
0.482
MAR-LAB-ca4662a6-8
0.481
BEN-DND-61647d40-14
0.468
MAT-POS-06036648-1
0.459
EDJ-MED-06d94977-1
0.446
DAR-DIA-093892e4-11
0.440
CHO-MSK-00c5269a-1
0.438
ALP-POS-bad7201a-15
0.438
CHO-MSK-00c5269a-3
0.438
ALP-POS-6d04362c-2
0.438
VLA-UCB-34f3ed0c-2
0.429
MAR-LAB-ca4662a6-7
0.427
PET-UNK-b75fdf9f-1
0.425
CHO-MSK-00c5269a-2
0.424
ALP-POS-75715966-5
0.424
AAR-POS-8a4e0f60-4
0.424
ANT-OPE-45835252-1
0.418
ANT-DIA-62e4526e-1
0.416
DAR-DIA-093892e4-12
0.415
MAT-POS-06036648-4
0.414
CHO-MSK-00c5269a-5
0.412
CHO-MSK-00c5269a-4
0.412
AAR-POS-8a4e0f60-6
0.411
VLA-UCB-50c39ae8-5
0.411
VLA-UCB-05e51b3f-8
0.411
ALP-POS-75715966-1
0.411
MAT-POS-c79fcd02-1
0.409
DAR-DIA-093892e4-7
0.404
ALP-POS-bad7201a-14
0.402
MAT-POS-06036648-6
0.400
NAU-LAT-3f5f3993-4
0.400
OLG-UNK-911c2067-1
0.396
MAT-POS-bfb445d4-2
0.395
DAR-DIA-2964957d-7
0.393
ALP-POS-c59291d4-2
0.392
RAL-THA-4a5dabff-6
0.392
DAR-DIA-2964957d-5
0.386
MAR-LAB-ff9967db-30
0.385
UNK-UNK-2ede4078-94
0.384
MIC-UNK-66895286-2
0.382
ROB-IMP-e811baff-1
0.381
MAR-TRE-3e4e6814-40
0.381
MAR-TRE-d0525fbf-58
0.379
MAT-POS-06036648-2
0.379
ALP-POS-87c86d55-2
0.378
ALP-POS-c59291d4-4
0.376
RAL-THA-4a5dabff-1
0.375
AAR-POS-8a4e0f60-10
0.374
MIC-UNK-66895286-3
0.372
RAL-THA-4a5dabff-4
0.371
RAL-THA-4a5dabff-8
0.370
DAR-DIA-093892e4-6
0.367
DAR-DIA-093892e4-3
0.367
EDJ-MED-49816e9b-1
0.367
DAR-DIA-667e571f-5
0.366
DAR-DIA-53551c05-14
0.366
PET-UNK-b75fdf9f-2
0.366
AAR-POS-8a4e0f60-1
0.365
JAG-UCB-77729364-1
0.363
DAR-DIA-093892e4-2
0.360
MAR-TRE-3e4e6814-83
0.360
ALP-POS-6d04362c-1
0.360
MIC-UNK-66895286-4
0.358
MIC-UNK-66895286-5
0.357
DAR-DIA-093892e4-10
0.356
RAL-THA-4a5dabff-7
0.356
UNK-UNK-2ede4078-81
0.356
RUT-UNI-630c5802-17
0.355
ALP-POS-d2866bdf-1
0.355
RAL-THA-4a5dabff-3
0.355
RUT-UNI-630c5802-18
0.355
RUT-UNI-630c5802-22
0.354
RAL-THA-4a5dabff-2
0.354
PET-UNK-8922bd3c-1
0.353
MAR-TRE-74c6519b-62
0.353
ALP-POS-c59291d4-3
0.353
DAR-DIA-667e571f-3
0.352
RUT-UNI-630c5802-19
0.351
RUT-UNI-630c5802-24
0.351
DAR-DIA-093892e4-5
0.351
DAR-DIA-093892e4-9
0.350
DAR-DIA-667e571f-4
0.350
RUT-UNI-630c5802-1
0.350
MIC-UNK-8373f97b-1
0.348
RUT-UNI-630c5802-20
0.347
RUT-UNI-630c5802-21
0.347