Molecular Properties | |
SMILES: | O=C(NCC(=O)N1CCCC1c1nc2ccccc2[nH]1)C1CCCC1 |
MW: | 340.19 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 78.09 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-06-23 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
COM-UCB-1ef4e90e-3
0.292
MAR-TRE-ebcc4ad6-45
0.286
GAB-REV-4a4e2ff3-3
0.282
RED-RED-10c9212c-19
0.280
MAK-UNK-a7992eb3-4
0.279
MAR-TRE-9d18ae8c-20
0.274
ALP-POS-3fc1724e-8
0.272
SAD-SAT-f0a2747f-6
0.271
AAR-UNI-c25c2f1e-52
0.269
AAR-POS-0daf6b7e-25
0.267
MAT-POS-ea426761-48
0.265
MAR-TRE-1c920f6f-65
0.265
AHN-SAT-02ef6d10-1
0.260
MAR-TRE-aca67d11-41
0.257
MAR-TRE-9d18ae8c-34
0.257
MAR-TRE-9d18ae8c-12
0.255
MAK-UNK-1ac43cfa-1
0.255
ALP-POS-a30bcdb4-1
0.254
JAR-KUA-672ec752-12
0.253
EDJ-MED-d203f206-16
0.252
EDG-MED-ba1ac7b9-12
0.252
SWA-SYN-40d44a84-5
0.250
AAR-UNI-c25c2f1e-58
0.250
AAR-UNI-c25c2f1e-41
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MAK-UNK-1bb0b7ee-12
0.250
CAS-DEP-751a2458-2
0.250
MAR-TRE-f6f5f473-6
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ALP-UNI-ed5cdfd2-7
0.248
SEB-HKI-06b43755-1
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SWA-SYN-40d44a84-4
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MAK-UNK-f2409524-9
0.247
AAR-POS-0daf6b7e-39
0.247
MAK-UNK-1bb0b7ee-14
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MAK-UNK-b1d4dcd7-1
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COM-UCB-1ef4e90e-11
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MAT-POS-ea426761-47
0.245
ALP-UNI-ed5cdfd2-3
0.245
MAK-UNK-69bf97dd-8
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MAK-UNK-1bb0b7ee-15
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AAR-UNI-c25c2f1e-83
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SWA-SYN-40d44a84-1
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MAK-UNK-3ae66343-2
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MAK-UNK-3ae66343-1
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MAR-TRE-9d18ae8c-16
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MAR-TRE-f6f5f473-77
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MAR-TRE-36bf7dba-66
0.238
MAR-TRE-d3c2bf0e-16
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JAG-UCB-cedd89ab-4
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ALP-POS-a30bcdb4-2
0.236
WIL-UNI-5578df48-17
0.233
AAR-UNI-c25c2f1e-57
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MAK-UNK-a7992eb3-12
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GAB-REV-70cc3ca5-9
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MAR-TRE-b77b7921-97
0.231
SAD-SAT-29425be4-4
0.230
MAR-TRE-6a44bbf2-82
0.230
MAK-UNK-69bf97dd-7
0.229
MAR-TRE-c8530538-4
0.229
MAR-TRE-c8530538-59
0.229
ALP-UNI-ed5cdfd2-2
0.227
MAR-TRE-87acfbcc-73
0.227
LON-WEI-120e5cf5-14
0.226
WIL-UNI-d4749f31-37
0.226
JAG-SYN-9c2cd0bd-14
0.226
SHA-THE-408e7524-6
0.225
AAR-UNI-c25c2f1e-44
0.225
MAR-TRE-8a25d817-28
0.224
MAK-UNK-1bb0b7ee-9
0.224
MAK-UNK-a7992eb3-19
0.224
MAR-TRE-fd17a9b8-5
0.223
MAR-TRE-fd17a9b8-9
0.223
MAR-TRE-799db12b-65
0.222
ANT-DIA-62e4526e-1
0.222
MAT-POS-ea426761-98
0.222
ALI-DIA-59c2fdb0-6
0.221
ALP-UNI-ed5cdfd2-1
0.221
RED-RED-10c9212c-33
0.221
SAD-SAT-29425be4-20
0.221
MAR-TRE-f5c2d31c-23
0.220
MAR-TRE-423310b6-61
0.220
MAK-UNK-a7992eb3-25
0.220
COM-UCB-1ef4e90e-19
0.219
AAR-UNI-c25c2f1e-3
0.219
JAG-SYN-9c2cd0bd-8
0.219
MAR-TRE-f6f5f473-67
0.218
MAR-TRE-2fd8122f-30
0.218
MAR-TRE-74c6519b-24
0.218
GIA-UNK-d2defdc3-7
0.218
AAR-UNI-c25c2f1e-95
0.217
MAK-UNK-c749d764-30
0.217
MAR-TRE-c8530538-95
0.217
SAD-SAT-29425be4-9
0.216
SAD-SAT-29425be4-29
0.216
MAR-TRE-74c6519b-91
0.216
LON-WEI-120e5cf5-9
0.214
MAK-UNK-5d2caa6f-13
0.214
MAK-UNK-1bb0b7ee-5
0.214
MAR-TRE-3e4e6814-62
0.214
IND-SYN-6c8299e8-1
0.214
MAR-TRE-6a44bbf2-14
0.214