Molecular Properties | |
SMILES: | C=CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCN(C)C |
MW: | 289.379 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 61.44 |
cLogP: | 0.577700000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-09-01 |
Long aliphatic chain
Dipeptide
AAR-POS-0daf6b7e-10
JUA-UNI-b93289a4-6
0.690
FAR-UNI-a04c1544-1
0.395
MAK-UNK-f983951f-22
0.385
ARI-TAT-5792557e-28
0.382
FAR-UNI-124f5ee8-1
0.378
SAL-INS-68b48d12-12
0.365
SAL-INS-68b48d12-4
0.357
BAR-COM-4e090d3a-19
0.354
AAR-POS-fca48359-12
0.353
FAR-UNI-9a76d7b5-1
0.353
SAL-INS-68b48d12-3
0.341
SAL-INS-68b48d12-11
0.341
NIM-UNI-bb9030bf-1
0.338
SAL-INS-68b48d12-2
0.337
MAK-UNK-c44f4be0-10
0.333
SAL-INS-a5f8a8b9-2
0.333
SAL-INS-68b48d12-1
0.330
BAR-COM-4e090d3a-7
0.329
MAK-UNK-27459e11-12
0.328
ARI-TAT-5792557e-29
0.326
ABH-HOE-1cbf6cd9-3
0.323
MAR-SOS-c7881798-7
0.318
MAR-SOS-82e3a7c7-4
0.318
ABH-HOE-1cbf6cd9-1
0.316
ALP-POS-8df010a9-1
0.316
SAL-INS-a5f8a8b9-1
0.315
BEN-DND-93268d01-14
0.308
MAK-UNK-c44f4be0-9
0.304
DAV-IMP-59dd6621-7
0.304
MAR-SOS-c7881798-12
0.303
MAR-SOS-82e3a7c7-3
0.303
ALE-UNK-fca05062-6
0.300
MAR-SOS-c7881798-6
0.298
MAR-SOS-82e3a7c7-6
0.298
LON-WEI-adc59df6-29
0.297
MAR-TRE-e86a56b5-55
0.295
ERI-UCB-fbdd3ea1-9
0.295
MAR-SOS-c7881798-4
0.292
MAR-SOS-82e3a7c7-12
0.292
JUS-UNI-57125a42-1
0.292
MAK-UNK-c44f4be0-8
0.292
NIC-BIO-3276ca7f-7
0.291
ABH-HOE-1cbf6cd9-2
0.290
ABH-HOE-1cbf6cd9-4
0.290
MAT-POS-bfefc3ea-2
0.289
NIC-BIO-a68395b7-4
0.289
MED-COV-4280ac29-26
0.289
SHA-THE-408e7524-8
0.288
JUA-UNI-bc099708-1
0.287
MAR-SOS-82e3a7c7-11
0.286
MAR-SOS-c7881798-1
0.286
AAR-POS-d2a4d1df-16
0.282
ANT-DIA-b7f58f21-4
0.281
MAR-SOS-82e3a7c7-5
0.281
MAR-SOS-c7881798-10
0.281
NIM-UNI-bb9030bf-6
0.278
MAR-TRE-92684b97-51
0.278
NIC-BIO-3276ca7f-4
0.278
SAL-INS-68b48d12-6
0.278
NIC-BIO-a68395b7-3
0.275
GIA-UNK-3f36037a-5
0.274
MAK-UNK-c44f4be0-7
0.274
AAR-UNI-c25c2f1e-100
0.272
MAK-UNK-c44f4be0-11
0.271
ALP-POS-02c6a514-54
0.271
DRA-CSI-47e38074-3
0.270
NIM-UNI-bb9030bf-4
0.269
MIC-FED-19b1f86d-4
0.269
MAK-UNK-a7992eb3-26
0.269
MAK-UNK-10dfa458-9
0.269
JAN-GHE-f375bf5b-1
0.269
SHA-THE-408e7524-9
0.269
LON-WEI-adc59df6-40
0.268
SAD-SAT-1f400d17-1
0.268
NIM-NMI-8bb27a2b-10
0.267
JAN-GHE-d851b096-1
0.267
JUA-UNI-a9dfaed1-3
0.267
SAL-INS-68b48d12-5
0.266
MAR-SOS-82e3a7c7-9
0.266
NIM-UNI-ed9fc491-3
0.266
MAR-SOS-c7881798-9
0.266
JUA-UNI-bc099708-5
0.265
JUA-UNI-a9dfaed1-5
0.263
UNK-CYC-68f84b31-48
0.263
MAR-TRE-e86a56b5-73
0.263
BAR-COM-4e090d3a-36
0.261
MAR-SOS-82e3a7c7-10
0.261
MAR-SOS-c7881798-11
0.261
MAR-TRE-fffca54f-96
0.261
DRA-CSI-47e38074-2
0.261
MAR-TRE-e86a56b5-63
0.261
NIC-BIO-b40446ce-2
0.260
MAK-UNK-27459e11-5
0.260
NIC-BIO-a68395b7-5
0.259
MAK-UNK-a7992eb3-29
0.258
JOH-UNI-c7afdb96-15
0.257
ANT-OPE-c0c3e7cc-1
0.256
JUA-UNI-a9dfaed1-2
0.256
MAR-TRE-e86a56b5-66
0.256
MAR-TRE-423310b6-10
0.256