Molecular Properties | |
SMILES: | O=C(Cc1ccsc1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 |
MW: | 358.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.23 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1298765722 |
MolPort: | MolPort-029-941-383 |
Activity Data | |
IC50 (µM) - RapidFire: | 78.2085433800363 |
Order Status | |
Shipped: | 2020-11-17 |
LON-WEI-5e7d1b3e-25
1.000
LON-WEI-4d77710c-25
1.000
MAK-UNK-212f693e-7
0.316
MAK-UNK-212f693e-8
0.312
AAR-POS-0daf6b7e-13
0.312
LON-WEI-8f408cad-7
0.312
NAU-LAT-64f4b287-3
0.301
MAK-UNK-6435e6c2-3
0.295
MAK-UNK-212f693e-6
0.291
MAK-UNK-902cc841-2
0.289
SAD-SAT-2fd372d1-1
0.286
MAK-UNK-e4a48a85-20
0.281
MAK-UNK-10dfa458-1
0.280
MAK-UNK-e4a48a85-22
0.280
MAK-UNK-e4a48a85-21
0.278
MAK-UNK-10dfa458-20
0.277
MAK-UNK-e4a48a85-24
0.275
MAK-UNK-212f693e-35
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MAK-UNK-212f693e-34
0.274
MAK-UNK-e4a48a85-25
0.274
MAK-UNK-212f693e-32
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JAR-KUA-41bd5a3d-15
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GIA-UNK-5ec6c2b8-5
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MAK-UNK-212f693e-15
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MAR-TRE-799db12b-17
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SAD-SAT-b55127ae-1
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MAK-UNK-212f693e-16
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MAK-UNK-3f402c2b-22
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DAR-DIA-842b4336-10
0.256
RED-RED-10c9212c-12
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MAK-UNK-e4a48a85-8
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MAR-TRE-f5c2d31c-58
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AAR-POS-0daf6b7e-17
0.247
LON-WEI-8f408cad-5
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AHN-SAT-02ef6d10-9
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MAR-TRE-14ce9fd6-83
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NIM-UNI-13494739-9
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MAT-POS-ee51dedd-2
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IND-SYN-6c8299e8-4
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MAK-UNK-6ca90168-20
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ALP-POS-8ed8d9ec-12
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AAR-POS-0daf6b7e-16
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NIM-UNI-13494739-3
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JOH-MR_-42fa5481-8
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NIM-UNI-310206f0-1
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MAK-UNK-987948f6-15
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MAR-TRE-fd17a9b8-34
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MAR-TRE-66ac689e-34
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MIH-UNI-6b9ca91a-1
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MAK-UNK-902cc841-1
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MAK-UNK-7264f48c-2
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MAK-UNK-5d2caa6f-7
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MAR-TRE-c8530538-93
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DRR-IMP-38dce17f-3
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MAK-UNK-7c9d1431-24
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MAK-UNK-e4a48a85-1
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BRU-UNI-418e22dc-7
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SAD-SAT-135344c3-7
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MAK-UNK-212f693e-11
0.231
AAR-POS-d2a4d1df-22
0.230
MAR-TRE-6a44bbf2-52
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LON-WEI-8f408cad-3
0.230
MAK-UNK-212f693e-9
0.230
ALP-POS-a3de0cb1-3
0.229
MAR-TRE-dab8f6ea-4
0.229
AAR-POS-d2a4d1df-20
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MAK-UNK-6435e6c2-2
0.229
GIA-UNK-7337c2f3-14
0.228
DAN-LON-a5fc619e-9
0.228
MAK-UNK-212f693e-19
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MAK-UNK-212f693e-33
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MAK-UNK-b7886382-2
0.227
BEN-BAS-c3742787-1
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DRR-IMP-38dce17f-6
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MAK-UNK-212f693e-17
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MAK-UNK-de8f6d00-8
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MAR-TRE-a9136c7b-76
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MAK-UNK-212f693e-13
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JUL-TUD-06b2044f-29
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SID-ELM-1f105489-3
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MAK-UNK-b1d4dcd7-5
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KEI-TRE-d5e2018a-51
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MAK-UNK-de8f6d00-1
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JOH-MR_-42fa5481-14
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MAR-TRE-0fda4e82-63
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MAR-TRE-0fda4e82-52
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MED-COV-4280ac29-8
0.222
MED-COV-4280ac29-25
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SID-ELM-1f105489-6
0.222
MAK-UNK-e4a48a85-16
0.222
NIC-UNI-f08e2453-1
0.221
NIM-UNI-13494739-1
0.221
JON-UIO-066ce08b-3
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SAD-SAT-5b1897b2-3
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SAD-SAT-65574d3f-9
0.221
MAK-UNK-de8f6d00-7
0.220
MAK-UNK-b1d4dcd7-4
0.220
DAN-MCD-9b81d1fa-1
0.220
DAN-MCD-b3a5626f-1
0.220
DAN-MCD-cb24a79d-1
0.220