Molecular Properties | |
SMILES: | O=S(=O)(Nc1ccccc1)c1cc2c(cc1OCc1ccccc1)OCO2 |
MW: | 383.08 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 73.86 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 72.8492434370476 |
Order Status | |
Shipped: | 2021-05-18 |
Filter58_polyphenol2
Hetero_hetero
ROD-LAS-d5538ff9-8
ROD-UFR-d767f115-1
0.727
ROD-UFR-74bef589-1
0.553
ROD-UFR-93b30032-1
0.551
LON-WEI-5e7d1b3e-10
0.279
LON-WEI-4d77710c-10
0.279
ROD-UFR-9b69e111-1
0.278
ROD-UFR-87309d29-1
0.274
MAT-POS-162a9720-7
0.263
ROD-LAS-d5538ff9-8
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MAR-UNI-c84db004-18
0.260
MAR-UNI-c84db004-5
0.255
ROD-UFR-d5063330-1
0.255
MAK-UNK-f983951f-13
0.253
NAU-LAT-81109c57-5
0.250
DAR-DIA-0587064e-19
0.250
MAT-POS-5369c344-3
0.250
MAR-UNI-c84db004-9
0.247
MAR-TRE-e86a56b5-54
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MAR-TRE-2fd8122f-71
0.243
SER-UNI-400afb01-5
0.241
MAR-UNI-c84db004-20
0.238
DAR-DIA-0587064e-5
0.236
MAR-UNI-c84db004-2
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MAR-UNI-c84db004-7
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LON-WEI-adc59df6-38
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MAR-TRE-f6f5f473-29
0.229
KEI-TRE-d5e2018a-28
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MAT-POS-ea426761-70
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MAR-TRE-04c86cea-61
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JAR-KUA-8c13982c-4
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COM-UCB-8c7d23dc-9
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MAR-TRE-fd17a9b8-52
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ROD-UFR-7c6582a7-1
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KEI-TRE-fa9ada3e-20
0.224
NAU-LAT-445f63e5-1
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MAK-UNK-07311286-2
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MAR-TRE-fd17a9b8-77
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MAR-TRE-3724962b-32
0.221
DAR-DIA-0587064e-18
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AAR-UNI-c25c2f1e-9
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LON-WEI-adc59df6-13
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MAR-TRE-e86a56b5-66
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JOH-IMS-7e73aedd-9
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JOH-IMS-0f19a540-3
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MAR-TRE-3159af1a-91
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MAK-UNK-a7992eb3-2
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JOH-UNI-e19b918c-10
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MAR-TRE-92684b97-22
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MAR-TRE-6a44bbf2-60
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MAR-TRE-8190bb11-17
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LON-WEI-ff7b210a-4
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MAK-UNK-be3f299e-2
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PET-SGC-0f1d26ed-1
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MAK-UNK-f983951f-5
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MAR-TRE-b77b7921-56
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ROD-UFR-0ea09143-1
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MAR-TRE-e86a56b5-55
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RAL-MED-2de63afb-6
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JOH-UNI-e19b918c-8
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HAN-NEW-5f56c3bc-1
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AAR-POS-d2a4d1df-31
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MAR-TRE-6c5ef77a-13
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MAK-UNK-07311286-1
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MAR-TRE-0fda4e82-9
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DRA-CSI-47e38074-8
0.208
MAK-UNK-a7992eb3-22
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AAR-UNI-c25c2f1e-21
0.208
JOH-UNI-e19b918c-4
0.207
DAV-IMP-59dd6621-7
0.207
JON-UNI-93996c9d-5
0.207
PET-SGC-0f1d26ed-2
0.207
WIL-UNI-5578df48-11
0.207
MAR-TRE-4f781e27-53
0.206
WAR-XCH-b0339bbe-20
0.205
WAR-XCH-79d12f6e-10
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GIA-UNK-3f36037a-6
0.205
WAR-XCH-b0339bbe-12
0.205
WAR-XCH-79d12f6e-1
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MAR-TRE-fd17a9b8-93
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MAR-TRE-04c86cea-97
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NAU-LAT-445f63e5-5
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MAR-TRE-f5c2d31c-59
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JOH-UNI-e19b918c-9
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DRA-CSI-47e38074-4
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MAR-TRE-d3c2bf0e-11
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NAU-LAT-445f63e5-4
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NIC-UNI-0cb6411b-1
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MIH-UNI-6b9ca91a-6
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TAT-ENA-80bfd3e5-45
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MAT-POS-fa06b69f-7
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JOH-IMS-0f19a540-10
0.200
DRA-CSI-47e38074-3
0.200
SID-ELM-8b394441-1
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AAR-POS-d2a4d1df-1
0.200
DAV-UNK-07f953a2-3
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UNK-CYC-68f84b31-75
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FRA-BIO-8bf1eac9-4
0.198
MAR-TRE-3159af1a-57
0.198
MAK-UNK-f0bfc2e0-3
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NAU-LAT-445f63e5-7
0.198