Molecular Properties | |
SMILES: | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
MW: | 639.39 |
Fraction sp3: | 0.47 |
HBA: | 8 |
HBD: | 10 |
Rotatable Bonds: | 19 |
TPSA: | 264.56 |
cLogP: | -0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0100021362305 |
Order Status | |
Shipped: | synthesis in progress |
Aliphatic long chain
imine
imine
Imine 3
Long aliphatic chain
Dipeptide
SAL-INS-68b48d12-3
0.461
SAL-INS-68b48d12-11
0.443
SAL-INS-68b48d12-1
0.431
SAL-INS-a5f8a8b9-1
0.431
AAR-POS-fca48359-12
0.429
FAR-UNI-9a76d7b5-1
0.429
ABH-HOE-1cbf6cd9-2
0.418
ABH-HOE-1cbf6cd9-1
0.414
ABH-HOE-1cbf6cd9-4
0.395
SAL-INS-68b48d12-5
0.384
SAL-INS-68b48d12-4
0.380
SAL-INS-68b48d12-12
0.373
SAL-INS-a5f8a8b9-2
0.371
SHA-THE-408e7524-8
0.363
SHA-THE-408e7524-23
0.362
SAL-INS-68b48d12-2
0.362
ABH-HOE-1cbf6cd9-3
0.339
FAR-UNI-124f5ee8-1
0.321
SAL-INS-68b48d12-6
0.321
SAL-INS-68b48d12-9
0.315
SAL-INS-68b48d12-7
0.308
FAR-UNI-a04c1544-1
0.306
SHA-THE-408e7524-10
0.300
JUS-UNI-57125a42-1
0.293
PRA-UNK-95a569ae-1
0.286
MAR-TRE-e86a56b5-69
0.284
PRA-UNK-c22cca29-1
0.284
JUA-UNI-b93289a4-6
0.279
MAK-UNK-f983951f-22
0.276
ARI-TAT-5792557e-28
0.273
BAR-COM-4e090d3a-19
0.270
MAK-UNK-c44f4be0-10
0.269
JUA-UNI-a9dfaed1-6
0.269
MAR-TRE-e86a56b5-56
0.263
VAL-ASS-c8151e3f-1
0.262
MAK-UNK-c44f4be0-9
0.260
SAL-INS-68b48d12-10
0.260
MAR-TRE-e86a56b5-55
0.259
MAR-SOS-c7881798-7
0.256
MAR-SOS-82e3a7c7-4
0.256
SAL-INS-68b48d12-8
0.255
MAR-TRE-e86a56b5-58
0.255
MAR-SOS-c7881798-1
0.254
MAR-SOS-82e3a7c7-11
0.254
MAK-UNK-27459e11-12
0.253
ARI-TAT-5792557e-29
0.252
MAK-UNK-c44f4be0-8
0.252
SER-UNI-400afb01-4
0.250
MAR-TRE-4f39ef4a-68
0.248
MAT-POS-bfefc3ea-2
0.246
MAR-TRE-e86a56b5-94
0.245
SHA-THE-408e7524-17
0.243
MAR-TRE-e86a56b5-98
0.243
ALP-POS-8df010a9-1
0.240
MAK-UNK-c44f4be0-7
0.238
MAR-TRE-e86a56b5-81
0.238
MAR-TRE-e86a56b5-31
0.238
MAR-SOS-c7881798-12
0.238
MAR-SOS-82e3a7c7-3
0.238
JAN-GHE-f375bf5b-1
0.237
MAK-UNK-c44f4be0-2
0.235
MAK-UNK-27459e11-5
0.233
MAR-TRE-e86a56b5-47
0.233
MAR-TRE-87acfbcc-53
0.232
MAR-SOS-c7881798-10
0.231
MAR-SOS-82e3a7c7-5
0.231
UNK-CYC-68f84b31-75
0.231
WIL-UNI-1faa9b10-51
0.230
MAR-SOS-c7881798-4
0.230
MAR-SOS-82e3a7c7-12
0.230
PAU-UNI-6d15a9f5-4
0.229
CHA-KIN-bfe9b535-9
0.229
MAK-UNK-c44f4be0-4
0.227
CHA-KIN-bfe9b535-8
0.227
MAK-UNK-c44f4be0-11
0.227
MIC-UNK-2744a8e2-14
0.226
NIC-BIO-a68395b7-4
0.224
CHA-KIN-87c379ac-1
0.224
BEN-DND-93268d01-14
0.223
BAR-COM-4e090d3a-7
0.223
CHA-KIN-bfe9b535-7
0.223
SHA-THE-408e7524-16
0.223
NIM-UNI-ed9fc491-4
0.221
MAR-TRE-1c920f6f-81
0.220
MAR-TRE-e86a56b5-66
0.220
MAT-POS-bfefc3ea-3
0.219
NIC-BIO-b40446ce-2
0.219
PRA-UNK-35958606-1
0.219
CHA-KIN-bfe9b535-5
0.217
VOL-CHA-d666e5ae-2
0.217
JOH-MSK-8ad0fd05-1
0.217
NIC-BIO-3276ca7f-7
0.217
MAR-SOS-c7881798-11
0.217
MAR-SOS-82e3a7c7-10
0.217
MAK-UNK-c44f4be0-1
0.216
VLA-UNK-5b0345c3-2
0.215
CHA-KIN-bfe9b535-4
0.214
MAR-TRE-e86a56b5-62
0.214
CHA-KIN-bfe9b535-6
0.213
CHA-KIN-bfe9b535-3
0.213