Molecular Properties | |
SMILES: | Cc1ccc(C(Cc2cnn(C)c2)C(=O)Nc2n[nH]c3ccccc23)cc1 |
MW: | 359.17 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.6 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | 2020-11-04 |
ALP-POS-a3de0cb1-3
0.522
ALP-POS-a3de0cb1-14
0.495
ALP-POS-a3de0cb1-11
0.438
ALP-POS-bad7201a-11
0.398
EDJ-MED-c8e7a002-11
0.374
NAU-LAT-a5c7d7cb-10
0.374
ALP-POS-8ed8d9ec-16
0.367
ALP-POS-a3de0cb1-6
0.354
ALP-POS-8ed8d9ec-1
0.336
JAG-UCB-52b62a6f-17
0.321
ALP-POS-8ed8d9ec-5
0.297
ALP-POS-8ed8d9ec-15
0.296
DAR-DIA-2964957d-3
0.283
AAR-UNI-c25c2f1e-34
0.279
DAR-DIA-842b4336-11
0.275
ALP-POS-8ed8d9ec-11
0.257
MAR-TRE-67513f76-92
0.252
MAR-TRE-4b834d9a-27
0.252
KEI-TRE-d5e2018a-23
0.252
MAT-POS-173a45da-2
0.248
MAR-TRE-fd17a9b8-35
0.248
ALP-POS-25b4df59-1
0.243
EDJ-MED-c8e7a002-16
0.243
AAR-UNI-c25c2f1e-70
0.243
MAR-TRE-f6f5f473-63
0.242
BEN-DND-93268d01-3
0.242
ALP-POS-a3de0cb1-8
0.242
MAR-TRE-74c6519b-79
0.239
MAR-TRE-9c797165-57
0.238
GAB-REV-70cc3ca5-17
0.238
VLA-UCB-05e51b3f-1
0.238
ALP-POS-6747fa38-1
0.238
NAU-LAT-a5c7d7cb-1
0.238
BEN-DND-6de5dfa0-11
0.238
NIR-THE-d08c3b48-1
0.238
SAD-SAT-cefd50cc-7
0.237
AAR-UNI-c25c2f1e-17
0.236
RAL-THA-2d450e86-3
0.235
ALP-POS-25b4df59-2
0.232
NIR-THE-590dedc7-1
0.232
MIC-UNK-6ab519a7-1
0.232
NAU-LAT-a5c7d7cb-2
0.232
MIC-UNK-5a93dd5f-10
0.232
DAR-DIA-842b4336-2
0.231
EDJ-MED-c8e7a002-9
0.231
TRI-UNI-97428359-2
0.229
MAT-POS-fce787c2-11
0.229
ALP-POS-8ed8d9ec-12
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MAR-TRE-36bf7dba-21
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ALP-POS-02c6a514-48
0.227
DAR-DIA-bd041b9b-24
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ALP-POS-8ed8d9ec-4
0.225
CUN-WAB-25b584ee-1
0.224
MAR-TRE-85681e92-53
0.224
NIC-BIO-f814dd3d-1
0.224
MAR-TRE-92684b97-53
0.223
MIC-UNK-5a93dd5f-8
0.222
CHA-KIN-bfe9b535-3
0.222
MAR-TRE-3e4e6814-100
0.222
ALP-POS-a3de0cb1-16
0.221
ALP-POS-a3de0cb1-10
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PED-UNI-8d53fd73-1
0.221
DAN-RED-da448e80-1
0.221
AAR-UNI-c25c2f1e-54
0.221
PED-UNI-5b7f1100-1
0.221
DRE-WAB-eb790b7a-1
0.221
MAR-TRE-4f39ef4a-9
0.220
MAR-TRE-4f781e27-6
0.220
BEN-DND-93268d01-2
0.220
BEN-DND-03406596-4
0.220
BEN-DND-03406596-11
0.220
BEN-DND-93268d01-1
0.220
BEN-DND-03406596-12
0.220
ALP-POS-ddb41b15-1
0.220
ALP-POS-a3de0cb1-4
0.220
NAU-LAT-4ce8bf23-1
0.219
RED-RED-10c9212c-14
0.219
NIC-BIO-5044b423-1
0.219
BAR-COM-4e090d3a-62
0.219
MAR-TRE-92684b97-56
0.219
SAM-UNK-2684b532-10
0.218
LON-WEI-5e7d1b3e-4
0.218
LON-WEI-4d77710c-4
0.218
LON-WEI-5e7d1b3e-35
0.218
LON-WEI-4d77710c-35
0.218
MAT-POS-b5746674-108
0.218
UNK-UNK-2ede4078-72
0.217
MAT-POS-af71705c-2
0.217
MAR-TRE-74c6519b-68
0.217
DAN-RED-da448e80-5
0.217
AAR-UNI-c25c2f1e-63
0.217
MAR-TRE-85681e92-68
0.217
NIC-BIO-3276ca7f-7
0.217
MIC-UNK-5a93dd5f-6
0.217
MAR-TRE-85681e92-69
0.216
MAR-TRE-fd17a9b8-55
0.216
BEN-DND-362d364a-12
0.216
DRE-WAB-ae4a693c-1
0.216
EDG-MED-0da5ad92-5
0.216
PET-SGC-b0f8bd49-1
0.216