Molecular Properties | |
SMILES: | CNS(=O)(=O)c1cc2c(cc1OCc1ccccc1)OCO2 |
MW: | 321.07 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 73.86 |
cLogP: | 1.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-05-18 |
Filter58_polyphenol2
Hetero_hetero
ROD-LAS-d5538ff9-8
ROD-UFR-86d8d6a3-1
0.727
ROD-UFR-93b30032-1
0.581
ROD-UFR-74bef589-1
0.541
ROD-LAS-d5538ff9-8
0.303
ROD-UFR-87309d29-1
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MAT-POS-162a9720-7
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ROD-UFR-9b69e111-1
0.291
MAR-UNI-c84db004-5
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ROD-UFR-d5063330-1
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LON-WEI-5e7d1b3e-10
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LON-WEI-4d77710c-10
0.277
NAU-LAT-81109c57-5
0.274
MAR-UNI-c84db004-20
0.273
MAR-UNI-c84db004-7
0.272
MAR-UNI-c84db004-2
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MAR-UNI-c84db004-18
0.271
SER-UNI-400afb01-5
0.269
MAK-UNK-f983951f-13
0.268
ROD-UFR-7c6582a7-1
0.261
MAR-UNI-c84db004-9
0.258
MAR-TRE-e86a56b5-54
0.256
MAT-POS-ea426761-70
0.250
JOH-IMS-7e73aedd-9
0.247
JOH-IMS-0f19a540-3
0.247
ROD-UFR-0ea09143-1
0.245
DAV-IMP-59dd6621-7
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JUA-UNI-b93289a4-3
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MAK-UNK-be3f299e-2
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MAR-TRE-6a44bbf2-60
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MAR-TRE-04c86cea-61
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JUA-UNI-a9dfaed1-3
0.237
DAR-DIA-0587064e-19
0.237
MAT-POS-5369c344-3
0.237
MAR-TRE-e86a56b5-55
0.235
DAR-DIA-0587064e-5
0.233
GIA-UNK-595fac82-5
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WIL-LEE-23e8b574-1
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MAR-TRE-fd17a9b8-77
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JON-UNI-93996c9d-5
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GIA-UNK-3f36037a-6
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LON-WEI-adc59df6-38
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AAR-POS-d2a4d1df-1
0.229
UNK-CYC-68f84b31-75
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JOH-IMS-0f19a540-10
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LON-WEI-adc59df6-13
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JAR-KUA-8c13982c-4
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MAK-UNK-f983951f-5
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MAK-UNK-27459e11-12
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COM-UCB-8c7d23dc-9
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LON-WEI-ff7b210a-4
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JOH-IMS-7e73aedd-8
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MAR-TRE-a3327163-38
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JOH-IMS-0f19a540-2
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MAR-TRE-b77b7921-56
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MAR-TRE-6c5ef77a-13
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AAR-POS-d2a4d1df-31
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MAK-UNK-07311286-1
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MAK-UNK-07311286-2
0.218
DAR-DIA-0587064e-18
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MAK-UNK-a7992eb3-22
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DRA-CSI-47e38074-8
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MAR-TRE-0fda4e82-9
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JOH-UNI-e19b918c-4
0.217
SAD-SAT-2fd372d1-2
0.217
MAR-TRE-3724962b-32
0.217
DAV-UNK-07f953a2-3
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MAK-UNK-27459e11-5
0.215
JOH-IMS-7e73aedd-1
0.213
MAR-TRE-fd17a9b8-13
0.213
JOH-IMS-0f19a540-12
0.213
MAR-TRE-b77b7921-94
0.213
JOH-UNI-e19b918c-9
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DRA-CSI-47e38074-4
0.212
MAR-TRE-8190bb11-17
0.211
JOH-UNI-e19b918c-10
0.211
ARI-TAT-5792557e-14
0.210
MIH-UNI-6b9ca91a-6
0.210
DRA-CSI-47e38074-3
0.210
YUN-WES-58b0dbae-6
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YUN-WES-85ecc354-1
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CHR-UNL-7577488f-1
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MAT-POS-b5746674-62
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MAT-POS-b5746674-58
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MAK-UNK-7c9d1431-14
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JOH-IMS-0f19a540-11
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MAK-UNK-a7992eb3-18
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JOH-IMS-0f19a540-14
0.207
SAD-SAT-2ceae68f-8
0.207
LAU-FAC-e2c8b4ad-1
0.207
NAU-LAT-445f63e5-7
0.207
MAR-TRE-14ce9fd6-23
0.207
BEN-DND-362d364a-1
0.206
MAK-UNK-f0bfc2e0-3
0.206
MAR-TRE-2fd8122f-71
0.206
BEN-DND-362d364a-5
0.206
ALP-POS-c0c213c9-9
0.205
JOH-IMS-0f19a540-1
0.205
JOH-IMS-7e73aedd-7
0.205
JOH-UNI-e19b918c-8
0.205
MAR-TRE-6a44bbf2-28
0.205