Molecular Properties | |
SMILES: | CCc1n[nH]c(=O)c(-c2nc(-c3c[nH]c4ncccc34)cs2)c1CC |
MW: | 351.12 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.32 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-06-23 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
RED-RED-10c9212c-31
0.302
DAR-DIA-23aa0b97-2
0.276
KAL-WAB-eb347ebe-1
0.271
MAR-TRE-3159af1a-33
0.267
ANT-DIA-3c79be55-1
0.265
MAR-TRE-3159af1a-93
0.262
MAR-UCB-195bc32d-13
0.258
TAM-UNI-c140e31a-19
0.258
DAR-DIA-23aa0b97-1
0.257
MAR-TRE-3159af1a-91
0.255
DAR-DIA-23aa0b97-10
0.255
NIC-BIO-f814dd3d-1
0.254
MAR-TRE-3159af1a-58
0.253
RED-RED-10c9212c-21
0.252
JON-UNI-57097b3f-2
0.250
MAR-TRE-3159af1a-78
0.245
NIC-BIO-25446079-4
0.243
DAR-DIA-23aa0b97-12
0.243
TRY-UNI-1fd04853-8
0.243
TRY-UNI-1fd04853-10
0.241
MAR-TRE-3159af1a-89
0.240
MAR-TRE-3159af1a-9
0.240
MAR-UCB-195bc32d-10
0.240
MAK-UNK-b1917cc8-5
0.240
MAR-TRE-3159af1a-37
0.239
MAR-TRE-3159af1a-19
0.239
IND-SYN-3aa4e743-1
0.238
IND-SYN-6c8299e8-5
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MAR-TRE-3159af1a-8
0.238
SID-ELM-1f105489-9
0.238
AAR-POS-d2a4d1df-20
0.238
NIC-BIO-29f4a211-1
0.236
MAR-TRE-3159af1a-43
0.236
MAK-UNK-de8f6d00-5
0.236
NIC-BIO-ec630548-3
0.234
DAR-DIA-23aa0b97-11
0.234
TRY-UNI-1fd04853-12
0.234
MAK-UNK-de8f6d00-3
0.233
VLA-UNK-c3e99b7a-7
0.233
MAR-TRE-3159af1a-72
0.233
ANT-DIA-3c79be55-3
0.232
MAR-TRE-3159af1a-35
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MAR-TRE-3159af1a-74
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NIC-BIO-ec630548-1
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NIC-BIO-3276ca7f-4
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NIC-BIO-29f4a211-2
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NIC-BIO-5044b423-1
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NIC-BIO-25446079-3
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TRY-UNI-1fd04853-11
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MAR-TRE-3159af1a-40
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MAR-TRE-3159af1a-42
0.227
NIC-BIO-ec630548-2
0.227
TRY-UNI-1fd04853-9
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NIC-BIO-96ee2ca4-1
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TRY-UNI-1fd04853-7
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IND-SYN-6c8299e8-4
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NIC-BIO-ec630548-4
0.225
MAR-TRE-3159af1a-36
0.224
MAR-TRE-3e4e6814-5
0.224
TAM-UNI-c140e31a-9
0.224
NIC-BIO-174c9b04-2
0.223
NIC-BIO-25446079-2
0.223
NIC-BIO-25446079-1
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MAR-TRE-3159af1a-66
0.223
MAR-TRE-3159af1a-65
0.222
SAD-SAT-f25ee457-10
0.222
TRY-UNI-1fd04853-6
0.222
MAR-TRE-3159af1a-56
0.222
MAR-TRE-3159af1a-76
0.222
TAM-UNI-c140e31a-5
0.222
RED-RED-10c9212c-49
0.222
SAD-SAT-f25ee457-6
0.221
MAR-TRE-4b834d9a-25
0.221
NIC-BIO-174c9b04-1
0.221
MAR-TRE-3159af1a-2
0.220
MAK-UNK-de8f6d00-2
0.220
DOU-UNK-b5326f8f-15
0.219
NIC-BIO-3276ca7f-1
0.218
MAR-TRE-3159af1a-67
0.218
MAR-TRE-4b834d9a-40
0.218
MAR-TRE-3159af1a-20
0.217
TRY-UNI-1fd04853-5
0.217
TAM-UNI-c140e31a-8
0.217
NIC-BIO-2722da07-1
0.216
MAR-TRE-3159af1a-81
0.216
BEN-BAS-bb561ced-1
0.215
MAR-TRE-3159af1a-24
0.215
DUN-NEW-f8ce3686-7
0.215
UNK-UNK-2ede4078-83
0.214
SID-ELM-433ea7f3-3
0.214
MAK-UNK-de8f6d00-8
0.213
SAD-SAT-f25ee457-5
0.213
MAR-TRE-3159af1a-86
0.213
MAR-TRE-3159af1a-84
0.212
AUS-ARG-7cfdce8f-8
0.212
MAR-TRE-3159af1a-69
0.212
NIC-BIO-3276ca7f-5
0.212
IND-SYN-35527f5a-1
0.212
SWA-SYN-59528602-1
0.212
MAK-UNK-10572812-10
0.212