Molecular Properties | |
SMILES: | Cc1c(Cl)cc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] |
MW: | 432.07 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 109.2 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-06-23 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
nitro group
Oxygen-nitrogen single bond
Activated haloaromatics
aromatic NO2
Dye 16 (1)
Dye 22
Hetero_hetero
RED-RED-10c9212c-31
0.441
VLA-UNK-c3e99b7a-7
0.352
MAR-TRE-3159af1a-89
0.302
MAR-TRE-3159af1a-93
0.299
MAR-TRE-3159af1a-36
0.296
MAR-TRE-3159af1a-78
0.294
MAR-TRE-3159af1a-74
0.292
MAR-TRE-3159af1a-32
0.291
ASH-UNK-40b46b30-14
0.290
TAM-UNI-c140e31a-17
0.289
TAM-UNI-c140e31a-18
0.289
MAR-TRE-3159af1a-67
0.288
SWA-SYN-d2e6fa14-4
0.287
SWA-SYN-6423ea73-4
0.287
ASH-UNK-40b46b30-18
0.286
MAR-TRE-3159af1a-19
0.286
MAR-TRE-3159af1a-43
0.284
MAR-TRE-3159af1a-86
0.284
TAM-UNI-c140e31a-4
0.283
MAR-TRE-3159af1a-61
0.283
MAR-TRE-3159af1a-65
0.282
MAR-TRE-3159af1a-56
0.282
MAR-TRE-3159af1a-31
0.279
MAR-TRE-3159af1a-35
0.278
TAM-UNI-c140e31a-5
0.277
MAR-TRE-3159af1a-42
0.274
TAM-UNI-c140e31a-8
0.270
NIC-BIO-25446079-4
0.269
NIC-BIO-5044b423-1
0.266
IND-SYN-3aa4e743-1
0.264
IND-SYN-6c8299e8-5
0.264
AAR-POS-d2a4d1df-20
0.264
NIC-BIO-174c9b04-2
0.262
MAR-TRE-3159af1a-81
0.261
NIC-BIO-174c9b04-3
0.259
MAR-TRE-3159af1a-91
0.257
MAR-TRE-3159af1a-45
0.254
MAR-TRE-3159af1a-8
0.252
RED-RED-10c9212c-10
0.252
NAU-LAT-42d4957e-5
0.252
NIC-BIO-25446079-2
0.250
MAR-TRE-3159af1a-54
0.250
NIC-BIO-174c9b04-1
0.248
TAM-UNI-c140e31a-9
0.246
DAR-DIA-23aa0b97-12
0.245
SAD-SAT-f25ee457-6
0.244
NIC-BIO-ec630548-1
0.243
NIC-BIO-29f4a211-2
0.243
NIC-BIO-25446079-3
0.243
MAR-UCB-195bc32d-10
0.243
PET-SGC-fc67af9f-1
0.242
COM-UCB-1ef4e90e-19
0.242
MAR-TRE-3159af1a-40
0.241
NIC-BIO-2722da07-1
0.241
MAR-TRE-3159af1a-37
0.241
MAR-TRE-3159af1a-90
0.241
NIC-BIO-ec630548-2
0.241
TRY-UNI-1fd04853-9
0.241
MAR-TRE-3159af1a-87
0.241
SID-ELM-1f105489-9
0.241
NIC-BIO-ec630548-4
0.239
NIC-BIO-29f4a211-1
0.239
SAD-SAT-f25ee457-5
0.239
RED-RED-10c9212c-43
0.238
MAR-TRE-3159af1a-66
0.237
NIC-BIO-ec630548-3
0.237
MAR-TRE-3159af1a-69
0.237
MAK-UNK-10572812-13
0.237
MAR-TRE-3159af1a-79
0.236
MAR-TRE-3159af1a-60
0.236
SWA-SYN-6423ea73-10
0.235
ANT-DIA-3c79be55-3
0.235
SWA-SYN-d2e6fa14-9
0.235
MAR-TRE-3159af1a-51
0.234
MAR-TRE-3159af1a-33
0.234
MAK-UNK-de8f6d00-2
0.233
TRY-UNI-1fd04853-5
0.232
MAR-TRE-3159af1a-39
0.232
ANT-DIA-3c79be55-1
0.232
ZAC-WAB-2baeb60f-1
0.231
ZAC-WAB-d55a3c2e-1
0.231
MAK-UNK-10572812-12
0.231
MAR-TRE-3159af1a-6
0.231
MAR-TRE-3159af1a-80
0.231
MAR-TRE-3159af1a-48
0.230
MAR-TRE-2fd8122f-55
0.230
TRY-UNI-1fd04853-7
0.229
MAR-TRE-3159af1a-84
0.227
MAK-UNK-de8f6d00-8
0.227
GAB-FRA-261eb2a6-1
0.227
MAR-TRE-3159af1a-76
0.226
DAR-DIA-23aa0b97-1
0.226
MAR-TRE-3159af1a-70
0.226
SAD-SAT-f25ee457-10
0.226
MAR-TRE-fd17a9b8-92
0.226
MAR-TRE-3159af1a-50
0.225
KAL-WAB-eb347ebe-1
0.224
MAK-UNK-009ebe36-2
0.224
MAK-UNK-009ebe36-3
0.224
NIC-BIO-2722da07-2
0.224