Molecular Properties | |
SMILES: | Cn1cc(CN(C(=O)Nc2nnc3ccccn23)c2ccc(N3CCCCC3)cc2)cn1 |
MW: | 430.22 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.59 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-bad7201a-1
0.619
ALP-POS-7c842ab8-2
0.616
ALP-POS-bad7201a-10
0.537
ALP-POS-bad7201a-3
0.520
ALP-POS-7c842ab8-1
0.500
ALP-POS-a3de0cb1-11
0.442
ALP-POS-bad7201a-12
0.417
ALP-POS-bad7201a-2
0.400
ALP-POS-8ed8d9ec-9
0.393
ALP-POS-a3de0cb1-9
0.372
ALP-POS-8ed8d9ec-13
0.372
ALP-POS-6d04362c-3
0.359
ALP-POS-8ed8d9ec-4
0.358
ALP-POS-8ed8d9ec-16
0.352
ALP-POS-a3de0cb1-10
0.351
CHO-MSK-00c5269a-5
0.342
PET-UNK-e44ffd04-1
0.330
NAU-LAT-a5c7d7cb-12
0.330
BEN-DND-02317c5c-8
0.330
ALP-POS-bad7201a-13
0.312
ALP-POS-bad7201a-6
0.287
ALP-POS-6d04362c-5
0.283
ALP-POS-c0c213c9-12
0.279
ALP-POS-6d04362c-4
0.272
ALP-POS-a3de0cb1-2
0.271
DAR-DIA-093892e4-11
0.270
ALP-POS-8ed8d9ec-10
0.266
AAR-POS-8a4e0f60-11
0.262
DAR-DIA-093892e4-9
0.262
ALP-POS-8ed8d9ec-1
0.262
MAK-UNK-b7886382-2
0.262
PAT-UNK-b2d83456-3
0.260
ALP-POS-8ed8d9ec-6
0.258
CHO-MSK-00c5269a-4
0.258
DAR-DIA-093892e4-10
0.258
RUT-UNI-630c5802-8
0.252
RUT-UNI-630c5802-5
0.252
ALP-POS-c59291d4-3
0.246
RUT-UNI-630c5802-6
0.246
ALP-POS-8ed8d9ec-12
0.244
ROB-IMP-e811baff-1
0.244
WIL-UNI-d4749f31-24
0.244
WIL-UNI-5578df48-3
0.243
DAR-DIA-842b4336-11
0.243
RUT-UNI-630c5802-7
0.242
ALP-POS-a3de0cb1-1
0.242
WIL-UNI-d4749f31-7
0.242
WIL-UNI-2a57d06c-1
0.242
TAT-ENA-80bfd3e5-48
0.240
DAR-DIA-0cde14eb-18
0.236
GAB-REV-70cc3ca5-2
0.235
UNK-UNK-2ede4078-79
0.235
ALP-POS-bad7201a-14
0.234
MAR-TRE-04c86cea-93
0.233
ALP-POS-bad7201a-7
0.233
ALP-POS-c59291d4-2
0.233
KUS-THE-322b9b63-13
0.232
DAR-DIA-0cde14eb-16
0.231
RAL-THA-d07c7800-4
0.231
MAD-UNK-b1ea4171-1
0.230
MAD-UNK-84a4f939-1
0.230
MAT-POS-ea426761-97
0.230
DAR-DIA-0cde14eb-29
0.230
ALP-POS-a1bdc92a-1
0.230
ALP-POS-a3de0cb1-16
0.229
WIL-UNI-d4749f31-45
0.228
DRA-CSI-0a78d9ba-1
0.227
TRI-UNI-97428359-2
0.227
RUT-UNI-630c5802-27
0.227
AGN-NEW-c197b967-1
0.226
DAR-DIA-0cde14eb-19
0.226
ALP-POS-c59291d4-4
0.226
DAR-DIA-0cde14eb-17
0.226
RUT-UNI-630c5802-1
0.226
FRA-BIO-8bf1eac9-12
0.225
WIL-UNI-5578df48-8
0.224
MAR-TRE-c8530538-82
0.223
RAL-THA-d07c7800-1
0.223
RUT-UNI-630c5802-13
0.222
AAR-UNI-c25c2f1e-47
0.222
RAL-THA-4a5dabff-2
0.222
DRA-CSI-0a78d9ba-13
0.222
RAL-THA-d07c7800-2
0.221
DAR-DIA-0cde14eb-20
0.221
JOR-UNI-2fc98d0b-17
0.221
TRI-UNI-97428359-3
0.221
MAR-TRE-a9136c7b-67
0.221
ALP-POS-d0876c20-22
0.221
RUT-UNI-630c5802-9
0.221
RAL-THA-d07c7800-5
0.220
JOR-UNI-61e7b1d5-31
0.220
ALP-POS-a3de0cb1-5
0.220
LON-WEI-adc59df6-95
0.220
MAR-TRE-c8530538-77
0.219
MAT-POS-ea426761-78
0.219
ALP-POS-6d04362c-1
0.218
DAR-DIA-0cde14eb-22
0.218
RUT-UNI-630c5802-3
0.217
RUT-UNI-630c5802-4
0.217
ALP-POS-c0c213c9-11
0.216