Molecular Properties | |
SMILES: | O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cnccn1 |
MW: | 342.15 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 70.67 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-06-23 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
MAR-TRE-9d18ae8c-91
0.667
AUS-ARG-7cfdce8f-13
0.474
MAR-TRE-92684b97-10
0.406
MAR-TRE-8190bb11-25
0.371
MAT-POS-b5746674-19
0.356
MAR-TRE-66ac689e-52
0.347
MAR-TRE-4f781e27-96
0.330
BUT-SEX-9e782cc8-1
0.325
MAR-TRE-74c6519b-68
0.312
SAN-PRS-3c4a6997-2
0.291
SUN-WAB-e274cdaf-1
0.290
MAR-UCB-195bc32d-22
0.287
MAR-TRE-f5c2d31c-47
0.287
DRA-CSI-47e38074-11
0.280
AUS-ARG-7cfdce8f-11
0.279
MAR-TRE-85681e92-33
0.278
MAR-TRE-4f781e27-6
0.275
MAR-UCB-195bc32d-9
0.272
GAB-REV-70cc3ca5-17
0.270
CUN-WAB-25b584ee-2
0.270
MAR-TRE-74c6519b-79
0.269
UNK-UNK-2ede4078-104
0.267
CUN-WAB-25b584ee-1
0.267
MAR-TRE-85681e92-53
0.267
MAR-TRE-4f781e27-69
0.265
MAR-TRE-fd17a9b8-18
0.264
MAR-TRE-85681e92-68
0.260
NIC-BIO-3276ca7f-7
0.260
MAR-TRE-be9ff7d2-7
0.260
MAR-TRE-8190bb11-6
0.255
MAR-TRE-fd17a9b8-29
0.255
ADA-UNI-f8e79267-5
0.253
AAR-UNI-c25c2f1e-34
0.252
WJF-WAB-092bbb97-1
0.250
AAR-UNI-c25c2f1e-73
0.248
RED-RED-10c9212c-9
0.248
IND-SYN-8bc6954a-3
0.247
IND-SYN-35527f5a-1
0.247
SWA-SYN-59528602-1
0.247
MAR-TRE-87acfbcc-50
0.247
MAR-TRE-b77b7921-67
0.246
MAR-TRE-85681e92-69
0.245
MAR-TRE-4f39ef4a-5
0.245
NIC-BIO-3276ca7f-2
0.245
MAR-TRE-f6f5f473-6
0.244
ERI-UCB-ce40166b-20
0.244
AAR-UNI-c25c2f1e-72
0.243
NAU-LAT-64f4b287-9
0.241
BAR-COM-4e090d3a-12
0.240
MAR-TRE-9d18ae8c-26
0.240
ADA-UNI-f8e79267-2
0.240
BEN-DND-7e92b6ca-5
0.240
TAM-UNI-c140e31a-10
0.240
MAK-UNK-10572812-1
0.238
AAR-UNI-c25c2f1e-26
0.237
MAR-TRE-87acfbcc-35
0.237
MAR-TRE-b77b7921-88
0.236
KEI-TRE-d5e2018a-23
0.236
MAR-TRE-4b834d9a-27
0.236
IAN-BAS-5394d4c4-1
0.235
MAR-TRE-8190bb11-93
0.235
YIA-UNI-71f25a82-1
0.235
PET-SGC-b0f8bd49-1
0.235
BEN-DND-362d364a-12
0.235
DRE-WAB-ae4a693c-1
0.235
PET-SGC-d0156db4-1
0.235
MAR-TRE-8190bb11-11
0.234
MAR-TRE-87acfbcc-95
0.234
ALP-POS-ddb41b15-10
0.233
MAK-UNK-194150d3-2
0.233
WIL-UNI-d4749f31-37
0.233
MAR-TRE-3159af1a-24
0.233
SRE-UNK-d6ec0668-1
0.233
SRE-UNK-f31cebfc-1
0.233
ANT-OPE-ab37bd51-2
0.232
NIM-UNI-bb9030bf-1
0.232
ERI-UCB-ce40166b-16
0.231
MAR-TRE-fd17a9b8-35
0.231
BEN-DND-7e92b6ca-3
0.231
MAK-UNK-37f1d6fa-2
0.230
MAT-POS-ea426761-94
0.230
ALP-POS-a3de0cb1-14
0.230
BEN-DND-7e92b6ca-4
0.230
MAR-UCB-195bc32d-18
0.230
MAK-UNK-919546f0-2
0.229
MAK-UNK-f481d203-4
0.229
MAR-TRE-9d18ae8c-67
0.229
MAK-UNK-f481d203-3
0.229
ALP-POS-780445ae-5
0.229
BRU-UNI-248b30bc-12
0.229
MAR-TRE-3e4e6814-100
0.229
AAR-UNI-c25c2f1e-29
0.229
MAR-UCB-195bc32d-13
0.228
NIC-BIO-2722da07-2
0.228
BAR-COM-4e090d3a-51
0.228
MAR-TRE-fd17a9b8-25
0.228
ANT-OPE-ab37bd51-1
0.227
MAR-TRE-4f39ef4a-9
0.226
NIC-BIO-3276ca7f-4
0.226
ALP-POS-8ed8d9ec-6
0.226