Molecular Properties | |
SMILES: | O=C(Nc1ccncc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O |
MW: | 343.13 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-12-09 |
LON-WEI-b2874fec-15
0.788
LON-WEI-b2874fec-19
0.732
LON-WEI-b2874fec-16
0.722
LON-WEI-b2874fec-25
0.716
MAR-TRE-f6f5f473-31
0.716
LON-WEI-b2874fec-24
0.684
LON-WEI-5e7d1b3e-19
0.606
LON-WEI-4d77710c-19
0.606
LON-WEI-b2874fec-17
0.600
LON-WEI-b2874fec-23
0.573
LON-WEI-b2874fec-22
0.562
LON-WEI-b2874fec-20
0.557
LON-WEI-f8a636e2-1
0.542
LON-WEI-b2874fec-21
0.518
LON-WEI-b2874fec-27
0.512
LON-WEI-b2874fec-26
0.430
MAR-TRE-e86a56b5-5
0.357
MAR-TRE-2fd8122f-90
0.348
MAR-TRE-f6f5f473-8
0.344
MAR-TRE-74c6519b-63
0.340
GIA-UNK-3f36037a-7
0.329
MAR-TRE-e86a56b5-84
0.322
MAR-TRE-74c6519b-42
0.312
DAV-CRI-1c77f7a9-7
0.310
BEN-DND-93268d01-1
0.284
BEN-DND-03406596-4
0.284
BEN-DND-03406596-12
0.284
BEN-DND-03406596-11
0.284
MAT-POS-ea426761-62
0.275
TRY-UNI-714a760b-17
0.267
AHN-SAT-202241f6-1
0.267
BEN-DND-93268d01-15
0.267
BEN-DND-f6031113-17
0.261
BEN-DND-f6031113-10
0.258
MAR-TRE-3e4e6814-93
0.253
BEN-DND-031a96cc-2
0.253
ABI-SAT-4d06482b-1
0.250
BEN-DND-f6031113-11
0.248
MAK-UNK-129dcd6f-8
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BEN-DND-93268d01-16
0.247
TRY-UNI-714a760b-14
0.247
AUS-ARG-7cfdce8f-11
0.247
BEN-DND-f6031113-21
0.246
JAN-GHE-d851b096-2
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PET-SGC-b0f8bd49-1
0.245
PET-SGC-d0156db4-1
0.245
BEN-DND-362d364a-12
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DRE-WAB-ae4a693c-1
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BEN-DND-f6031113-22
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BEN-DND-fa51d92c-11
0.240
RAL-MED-9a5eb9cb-9
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BEN-DND-f6031113-18
0.238
BEN-DND-f6031113-19
0.238
BAR-COM-4e090d3a-53
0.238
ADA-UNI-f8e79267-5
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BEN-DND-f6031113-2
0.236
BEN-DND-031a96cc-6
0.236
MAR-TRE-4b834d9a-81
0.236
EDJ-MED-c292668a-2
0.236
BEN-DND-f6031113-6
0.236
BEN-DND-f6031113-9
0.236
BEN-DND-93268d01-3
0.233
ALP-POS-90c18d1d-1
0.233
BEN-DND-f6031113-23
0.233
RAL-MED-2de63afb-15
0.232
RAL-MED-2de63afb-16
0.232
ADA-UNI-f8e79267-4
0.232
BEN-DND-f6031113-20
0.231
BEN-DND-f6031113-7
0.230
EDJ-MED-c292668a-3
0.229
JAG-SYN-9c2cd0bd-5
0.228
BAR-COM-655b106d-2
0.228
ANU-UNK-2781581f-3
0.228
BEN-DND-f6031113-12
0.226
BEN-DND-f6031113-13
0.226
BEN-DND-f6031113-16
0.225
MAK-UNK-c8c8f7e2-21
0.225
ADA-UNI-f8e79267-2
0.224
AAR-UNI-c25c2f1e-75
0.224
MAR-TRE-8190bb11-14
0.224
BEN-DND-fa51d92c-23
0.224
TAM-UNI-c140e31a-22
0.224
BEN-DND-93268d01-2
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MAR-LAB-efb042c5-2
0.223
BEN-DND-fa51d92c-17
0.223
BEN-DND-f6031113-8
0.223
BEN-DND-f6031113-14
0.223
AAR-POS-d2a4d1df-11
0.222
ADA-UNI-f8e79267-1
0.222
BEN-DND-fa51d92c-10
0.221
PET-SGC-a9e9d4f4-1
0.221
NAU-LAT-a5c7d7cb-6
0.221
SAM-UNK-2684b532-10
0.221
BEN-DND-fa51d92c-1
0.220
LON-WEI-adc59df6-11
0.220
SAM-UNK-2684b532-1
0.220
MAR-TRE-8190bb11-90
0.220
MAR-TRE-8190bb11-93
0.220
MAK-UNK-129dcd6f-6
0.220
AAR-POS-0daf6b7e-44
0.220