Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)[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: | 59.5944471866455 |
Order Status | |
Shipped: | 2020-12-09 |
MAR-TRE-f6f5f473-31
1.000
LON-WEI-b2874fec-15
0.729
LON-WEI-b2874fec-18
0.716
LON-WEI-b2874fec-16
0.671
LON-WEI-b2874fec-24
0.658
LON-WEI-b2874fec-19
0.658
LON-WEI-5e7d1b3e-19
0.580
LON-WEI-4d77710c-19
0.580
LON-WEI-b2874fec-17
0.578
LON-WEI-b2874fec-20
0.556
LON-WEI-b2874fec-23
0.553
LON-WEI-b2874fec-22
0.542
LON-WEI-f8a636e2-1
0.506
MAR-TRE-2fd8122f-90
0.500
LON-WEI-b2874fec-21
0.500
LON-WEI-b2874fec-27
0.494
MAR-TRE-74c6519b-42
0.453
MAR-TRE-74c6519b-63
0.450
LON-WEI-b2874fec-26
0.417
MAR-TRE-3e4e6814-93
0.410
AUS-ARG-7cfdce8f-11
0.397
ADA-UNI-f8e79267-5
0.388
PET-SGC-b0f8bd49-1
0.379
ADA-UNI-f8e79267-4
0.379
PET-SGC-d0156db4-1
0.379
DRE-WAB-ae4a693c-1
0.379
BEN-DND-362d364a-12
0.379
ADA-UNI-f8e79267-2
0.367
MED-UNK-e6e8ef8a-7
0.366
MED-UNK-e6e8ef8a-1
0.366
ADA-UNI-f8e79267-1
0.363
MAR-TRE-f6f5f473-8
0.362
AAR-POS-d2a4d1df-11
0.360
KEI-TRE-d5e2018a-81
0.348
MAR-TRE-2fd8122f-97
0.348
MAR-TRE-74c6519b-58
0.337
MAR-TRE-2fd8122f-27
0.333
MAR-TRE-2fd8122f-96
0.333
DAV-CRI-1c77f7a9-6
0.330
MAR-TRE-3e4e6814-27
0.330
MAR-TRE-2fd8122f-63
0.330
MAR-TRE-4b834d9a-49
0.330
MAR-TRE-74c6519b-54
0.330
MAR-TRE-e86a56b5-5
0.330
MAK-UNK-a7b37c5e-2
0.329
ALE-HEI-f28a35b5-16
0.329
WIL-UNI-5578df48-2
0.329
ALE-HEI-f28a35b5-14
0.329
KEI-TRE-d5e2018a-23
0.327
MAR-TRE-2fd8122f-88
0.327
MAR-TRE-4b834d9a-27
0.327
SAN-PRS-52b81272-2
0.325
SAN-PRS-52b81272-3
0.325
MAR-TRE-2fd8122f-47
0.323
BEN-DND-031a96cc-2
0.323
ASH-UNK-40b46b30-13
0.323
HUB-UNK-9845d277-3
0.323
TAM-UNI-c140e31a-10
0.323
SAD-SAT-cefd50cc-1
0.322
SAD-SAT-689b7d5a-9
0.322
JOH-IMS-62aeb97d-2
0.321
JOH-IMS-62aeb97d-3
0.321
MAR-TRE-2fd8122f-41
0.321
MAR-TRE-74c6519b-51
0.319
DAR-DIA-842b4336-2
0.317
MAR-TRE-2fd8122f-54
0.316
KEI-TRE-d5e2018a-42
0.315
MAR-TRE-4b834d9a-31
0.315
CHR-SOS-7098f804-13
0.315
CHR-SOS-f7373dd1-4
0.315
SAD-SAT-2fd372d1-7
0.314
MAK-UNK-b2c98f02-5
0.314
MAR-TRE-2fd8122f-16
0.314
JOH-IMS-62aeb97d-4
0.313
DAR-DIA-842b4336-4
0.313
MAR-TRE-04c86cea-46
0.312
MAR-TRE-e86a56b5-84
0.312
SAD-SAT-689b7d5a-4
0.311
MAR-TRE-67513f76-81
0.311
DAR-DIA-842b4336-9
0.310
ZAC-WAB-d55a3c2e-2
0.309
ZAC-WAB-3baddbb3-1
0.309
ADA-UNI-f8e79267-10
0.309
KEI-TRE-d5e2018a-29
0.309
KEI-TRE-d5e2018a-25
0.309
ADA-UNI-f8e79267-6
0.308
CHR-SOS-f7373dd1-1
0.308
MAR-TRE-9c797165-52
0.308
CHR-SOS-7098f804-14
0.308
MAR-TRE-2fd8122f-81
0.307
WIL-UNI-5578df48-1
0.307
MAR-TRE-2fd8122f-79
0.307
MAK-UNK-ca11b4f7-2
0.307
MAK-UNK-ca11b4f7-3
0.307
MAR-TRE-9c797165-24
0.306
MAK-UNK-a7b37c5e-1
0.306
KEI-TRE-d5e2018a-55
0.305
MAK-UNK-c749d764-7
0.305
MAK-UNK-129dcd6f-5
0.305
GER-FIO-88d97d8c-1
0.305