Molecular Properties | |
SMILES: | N#Cc1cnn(C(=O)c2cccs2)c1C1CC1 |
MW: | 243.05 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 58.68 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3628329871 |
MolPort: | MolPort-002-908-805 |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.23765979947937 |
IC50 (µM) - RapidFire: | 0.363179070085028 |
Order Status | |
Shipped: | 2020-11-17 |
N-Acyl substituted azoheterocycles
LON-WEI-5e7d1b3e-70
1.000
GIA-UNK-995df016-12
0.316
MAK-UNK-3f402c2b-25
0.307
MAK-UNK-6ca90168-21
0.300
AAR-POS-0daf6b7e-16
0.296
LON-WEI-4d77710c-66
0.291
LON-WEI-5e7d1b3e-66
0.291
MAR-TRE-1c920f6f-53
0.262
UNK-CYC-68f84b31-11
0.253
MAR-TRE-a3327163-50
0.250
JOH-UNI-c7afdb96-3
0.247
MAR-TRE-3159af1a-83
0.239
MAR-TRE-14ce9fd6-83
0.237
MAK-UNK-ed378e62-32
0.236
UNK-CYC-68f84b31-47
0.236
MAK-UNK-ed378e62-26
0.235
MAR-TRE-fd17a9b8-23
0.233
MAR-TRE-14ce9fd6-1
0.230
MAR-TRE-a3327163-15
0.230
GAB-FAC-0d239413-1
0.230
MAK-UNK-ed378e62-36
0.230
UNK-CYC-68f84b31-27
0.229
WAR-XCH-72a8c209-11
0.228
UNK-CYC-68f84b31-28
0.227
WAR-XCH-72a8c209-14
0.227
MAK-UNK-7732b35b-28
0.227
JOH-UNI-c7afdb96-5
0.226
MAR-TRE-0fda4e82-63
0.226
MAK-UNK-7732b35b-14
0.225
MAK-UNK-ed378e62-34
0.222
UNK-CYC-68f84b31-39
0.221
MAR-TRE-a3327163-35
0.221
MAR-TRE-1c920f6f-10
0.221
MAR-TRE-8a25d817-55
0.221
MAK-UNK-bae89c02-2
0.220
MAR-TRE-6c5ef77a-14
0.220
MAK-UNK-ed378e62-30
0.219
MAK-UNK-ed378e62-28
0.219
MAR-TRE-3724962b-26
0.219
MAR-LAB-ca4662a6-1
0.219
MAK-UNK-10dfa458-21
0.218
KUS-THE-322b9b63-2
0.218
DEM-REL-172c3d60-3
0.217
DEM-REL-172c3d60-5
0.217
NIM-UNI-0ea3b7bf-3
0.217
DAV-CRI-d1e0885a-1
0.217
MAK-UNK-7732b35b-24
0.216
MAK-UNK-10dfa458-26
0.215
MAR-TRE-1c920f6f-96
0.215
WAR-XCH-72a8c209-6
0.215
UNK-CYC-68f84b31-19
0.214
CHR-SOS-363cfb78-3
0.213
WAR-XCH-72a8c209-10
0.213
MAR-TRE-6c5ef77a-26
0.211
MAR-TRE-6c5ef77a-40
0.211
NIR-THE-ed286faa-2
0.211
UNK-CYC-68f84b31-59
0.210
DAR-DIA-842b4336-5
0.210
CHR-SOS-363cfb78-1
0.210
VIK-SYN-9a3d118a-8
0.209
MAT-POS-ea426761-16
0.209
MAR-TRE-6c5ef77a-20
0.209
JAR-KUA-41bd5a3d-6
0.209
UNK-CYC-68f84b31-54
0.208
MAR-TRE-4b834d9a-65
0.208
MAK-UNK-7732b35b-32
0.208
MAR-TRE-92684b97-21
0.207
ANT-DIA-3c79be55-2
0.207
MAK-UNK-ec98eaf6-10
0.206
UNK-CYC-68f84b31-86
0.206
MAK-UNK-7732b35b-15
0.205
MAK-UNK-ed378e62-21
0.205
DAV-SYG-f22c749d-10
0.205
MAR-TRE-be9ff7d2-31
0.205
MAR-TRE-8190bb11-44
0.205
NIM-UNI-13494739-9
0.205
DEM-REL-172c3d60-2
0.205
MAR-TRE-0fda4e82-6
0.205
MAR-TRE-a3327163-61
0.205
UNK-CYC-68f84b31-66
0.204
DAR-DIA-bd041b9b-23
0.204
UNK-CYC-68f84b31-12
0.204
DAR-DIA-23aa0b97-9
0.203
MAK-UNK-3f402c2b-26
0.202
SAD-SAT-1f400d17-8
0.202
NIM-UNI-36e12f95-5
0.202
MAT-POS-b5746674-124
0.202
CHR-SOS-363cfb78-7
0.202
UNK-CYC-68f84b31-71
0.202
UNK-CYC-68f84b31-69
0.200
MAR-TRE-1c920f6f-25
0.200
BEN-DND-76ad4ac9-1
0.200
MAR-TRE-dab8f6ea-34
0.200
DAR-DIA-23aa0b97-10
0.200
MAR-TRE-6c5ef77a-96
0.200
MAR-TRE-a3327163-20
0.200
DAV-SYG-f22c749d-2
0.200
MAT-POS-590ac91e-62
0.200
MAK-UNK-6ca90168-22
0.200
JOH-MR_-42fa5481-6
0.198