Molecular Properties | |
SMILES: | CC(Cc1nc2ccccc2s1)Nc1ccc2nnnn2n1 |
MW: | 311.1 |
Fraction sp3: | 0.21 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.89 |
cLogP: | 2.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-07-29 |
WIL-UNI-2a57d06c-39
0.548
MAT-POS-ea426761-5
0.462
WIL-UNI-2a57d06c-36
0.305
WIL-UNI-d4749f31-34
0.282
MAR-TRE-1c920f6f-99
0.265
MAR-TRE-6a44bbf2-64
0.258
AAR-UNI-c25c2f1e-20
0.257
WIL-UNI-2a57d06c-11
0.250
MAR-TRE-14ce9fd6-66
0.242
WIL-UNI-2a57d06c-43
0.240
LON-WEI-4d77710c-30
0.236
LON-WEI-5e7d1b3e-30
0.236
JOO-IND-b2fae8f6-2
0.231
AHN-SAT-324b361c-1
0.230
JOO-IND-b13e14cc-2
0.228
MAR-TRE-a3327163-16
0.221
MAR-TRE-8190bb11-35
0.219
WIL-UNI-2a57d06c-21
0.217
MAR-TRE-6a44bbf2-53
0.216
MAK-UNK-7c9d1431-25
0.216
MAR-TRE-14ce9fd6-84
0.213
MAR-TRE-fd17a9b8-54
0.211
AAR-POS-d2a4d1df-30
0.208
TAT-ENA-80bfd3e5-13
0.208
AAR-UNI-c25c2f1e-76
0.208
JOO-IND-b2fae8f6-1
0.204
AHN-SAT-02ef6d10-4
0.204
MAK-UNK-3f402c2b-8
0.204
WAR-XCH-bdd24732-34
0.204
IND-SYN-6c8299e8-3
0.204
ALP-POS-8ed8d9ec-15
0.204
MAR-LAB-ff9967db-1
0.203
JOO-IND-b13e14cc-3
0.202
ALP-UNI-ed5cdfd2-8
0.202
ALP-POS-a3de0cb1-7
0.202
WIL-UNI-d4749f31-41
0.200
AAR-UNI-c25c2f1e-86
0.200
RAM-SYN-2a37ce6c-7
0.198
RAL-THA-4a5dabff-7
0.198
SAD-SAT-f0a2747f-2
0.198
WAR-XCH-b72a1bbc-8
0.198
JOO-IND-68bcc4bc-1
0.198
AHN-SAT-02ef6d10-1
0.196
JOO-IND-b13e14cc-1
0.196
AAR-UNI-c25c2f1e-69
0.193
RAL-THA-4a5dabff-4
0.193
RAL-THA-4a5dabff-5
0.191
MAR-LAB-ff9967db-2
0.191
MAR-TRE-a3327163-51
0.189
MAT-POS-ea426761-92
0.189
ALP-POS-8ed8d9ec-3
0.186
JAR-IMP-ed466bb3-15
0.184
RAL-THA-4a5dabff-6
0.182
RUT-UNI-630c5802-22
0.179
JAC-SHE-fb00f511-1
0.179
RAM-SYN-2a37ce6c-6
0.177
VLA-UNK-c3e99b7a-5
0.176
ALP-POS-8ed8d9ec-8
0.176
ALP-POS-a3de0cb1-10
0.175
ALP-POS-bad7201a-8
0.175
MAT-POS-bfb445d4-2
0.175
ALP-POS-8ed8d9ec-14
0.175
DAR-DIA-2964957d-6
0.174
MAR-LAB-ca4662a6-7
0.173
ALP-POS-a3de0cb1-12
0.173
ALP-POS-ced8ea4d-65
0.173
AAR-POS-0daf6b7e-39
0.172
ALP-POS-bad7201a-9
0.172
MAK-UNK-3ae66343-2
0.172
MAK-UNK-3ae66343-1
0.172
BEN-BAS-0534ec5c-1
0.172
ALP-POS-a3de0cb1-13
0.172
ALP-POS-8ed8d9ec-16
0.171
MAT-POS-ea426761-82
0.171
LON-WEI-ff7b210a-8
0.171
BAR-COM-4e090d3a-62
0.170
ALP-POS-88a7a97e-2
0.169
ALP-POS-88a7a97e-13
0.169
RAL-THA-4a5dabff-8
0.169
ALP-POS-8ed8d9ec-4
0.168
RUT-UNI-630c5802-24
0.168
BAR-COM-0f94fc3d-12
0.167
VLA-UNK-c3e99b7a-9
0.167
RAF-POL-653f0897-1
0.167
RUT-UNI-630c5802-23
0.167
DAR-DIA-093892e4-7
0.167
MAR-LAB-ff9967db-30
0.165
ALP-POS-a1bdc92a-1
0.165
RUT-UNI-630c5802-18
0.165
WIL-UNI-2a57d06c-13
0.165
JAR-KUA-672ec752-12
0.165
JAN-GHE-5a013bed-2
0.165
MAR-TRE-e86a56b5-50
0.165
AAR-POS-0daf6b7e-26
0.165
MAK-UNK-6435e6c2-9
0.165
MAK-UNK-1bb0b7ee-15
0.164
RUT-UNI-630c5802-19
0.164
MAR-TRE-143fb005-17
0.164
HAO-BIO-c9aafde3-4
0.164
MAR-TRE-aca67d11-49
0.163