Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1 |
MW: | 419.23 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 72.28 |
cLogP: | 2.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-05-26 |
Synthesis Location: | sai |
Shipped: | 2020-08-05 |
AAR-POS-d2a4d1df-1
DAR-DIA-093892e4-12
0.505
ALP-POS-c0c213c9-1
0.461
ALP-POS-c0c213c9-8
0.459
DAR-DIA-093892e4-2
0.438
DAR-DIA-093892e4-4
0.430
DAR-DIA-093892e4-1
0.429
ALP-POS-6d04362c-5
0.422
DAR-DIA-093892e4-8
0.421
ALP-POS-c0c213c9-3
0.416
ALP-POS-87c86d55-1
0.411
ALP-POS-6d04362c-1
0.404
ALP-POS-6d04362c-4
0.404
PET-UNK-7374c256-2
0.398
PET-UNK-1901c25b-3
0.398
CHO-MSK-00c5269a-4
0.397
VLA-UCB-34f3ed0c-2
0.396
OLG-UNK-911c2067-1
0.394
ALP-POS-c59291d4-3
0.393
ALP-POS-c0c213c9-18
0.393
PET-UNK-b75fdf9f-1
0.393
ALP-POS-87c86d55-2
0.391
ALP-POS-c59291d4-4
0.391
RAL-THA-4a5dabff-1
0.390
MAR-LAB-ca4662a6-7
0.389
DAR-DIA-093892e4-7
0.389
ALP-POS-bad7201a-5
0.387
ALP-POS-bad7201a-14
0.387
ALP-POS-d2866bdf-1
0.385
UNK-UNK-2ede4078-8
0.385
WIL-UNI-2e73223c-2
0.385
DAR-DIA-093892e4-6
0.383
MAD-UNK-84a4f939-1
0.381
MAD-UNK-b1ea4171-1
0.381
CHO-MSK-00c5269a-2
0.381
RUT-UNI-630c5802-24
0.381
DAR-DIA-093892e4-11
0.381
DAR-DIA-667e571f-3
0.379
DAR-DIA-667e571f-7
0.379
ALP-POS-bad7201a-15
0.378
ALP-POS-6d04362c-2
0.378
CHO-MSK-00c5269a-3
0.378
CHO-MSK-00c5269a-1
0.378
DAR-DIA-667e571f-4
0.378
ALP-POS-c59291d4-1
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DAR-DIA-667e571f-2
0.374
RUT-UNI-630c5802-27
0.374
RUT-UNI-630c5802-13
0.372
PET-UNK-1901c25b-2
0.372
ROB-IMP-e811baff-1
0.371
DAR-DIA-093892e4-3
0.371
VLA-UCB-05e51b3f-8
0.369
VLA-UCB-50c39ae8-5
0.369
ALP-POS-c0c213c9-6
0.368
RUT-UNI-630c5802-26
0.368
DAR-DIA-093892e4-5
0.368
EDJ-MED-06d94977-1
0.368
ALP-POS-6d04362c-3
0.368
ALP-POS-c59291d4-2
0.368
DAR-DIA-093892e4-9
0.368
ALP-POS-7c842ab8-1
0.368
RUT-UNI-630c5802-5
0.364
DAR-DIA-667e571f-6
0.362
CHO-MSK-00c5269a-5
0.361
DAR-DIA-093892e4-10
0.361
RAL-THA-4a5dabff-3
0.360
RAL-THA-4a5dabff-2
0.360
DAR-DIA-667e571f-5
0.359
UNK-UNK-2ede4078-94
0.358
MAR-LAB-ff9967db-4
0.358
PET-UNK-b75fdf9f-2
0.357
ALP-POS-75715966-5
0.357
RUT-UNI-630c5802-1
0.355
ANT-DIA-62e4526e-1
0.354
ALP-POS-c0c213c9-15
0.351
MAT-POS-06036648-6
0.350
RUT-UNI-630c5802-25
0.349
EDJ-MED-06d94977-2
0.349
UNK-UNK-2ede4078-81
0.349
MAT-POS-06036648-5
0.348
ALP-POS-75715966-1
0.347
RUT-UNI-630c5802-9
0.347
MAT-POS-06036648-2
0.345
MAT-POS-06036648-1
0.342
AAR-POS-8a4e0f60-8
0.339
RAL-THA-4a5dabff-8
0.339
MAT-POS-ffe83904-1
0.339
MAR-LAB-ca4662a6-8
0.337
RUT-UNI-630c5802-17
0.336
AAR-POS-8a4e0f60-7
0.336
RUT-UNI-630c5802-22
0.336
MAR-LAB-ff9967db-24
0.333
MAT-POS-06036648-4
0.331
RUT-UNI-630c5802-20
0.330
NAU-LAT-3f5f3993-4
0.330
MAR-LAB-ff9967db-30
0.328
MAT-POS-06036648-3
0.328
UNK-UNK-2ede4078-29
0.320
WIL-UNI-2e73223c-1
0.320
RUT-UNI-630c5802-21
0.319
MAR-LAB-ff9967db-38
0.318