Molecular Properties | |
SMILES: | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1 |
MW: | 679.41 |
Fraction sp3: | 0.53 |
HBA: | 8 |
HBD: | 7 |
Rotatable Bonds: | 18 |
TPSA: | 222.97 |
cLogP: | 0.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0100021362305 |
Order Status | |
Shipped: | synthesis in progress |
Aliphatic long chain
amino acid
Long aliphatic chain
Dipeptide
JUS-UNI-57125a42-1
0.400
FAR-UNI-124f5ee8-1
0.381
SHA-THE-408e7524-9
0.363
SAL-INS-68b48d12-3
0.352
SAL-INS-68b48d12-11
0.339
SAL-INS-68b48d12-4
0.327
FAR-UNI-a04c1544-1
0.327
SAL-INS-68b48d12-12
0.321
AAR-POS-fca48359-12
0.312
FAR-UNI-9a76d7b5-1
0.312
SAL-INS-68b48d12-5
0.308
BAR-COM-4e090d3a-56
0.306
ABH-HOE-1cbf6cd9-3
0.303
PRA-UNK-95a569ae-1
0.298
SER-UNI-400afb01-4
0.298
SAL-INS-a5f8a8b9-1
0.297
SAL-INS-68b48d12-1
0.297
ARI-TAT-5792557e-28
0.292
ARI-TAT-5792557e-29
0.292
SAL-INS-a5f8a8b9-2
0.289
JUA-UNI-a9dfaed1-6
0.288
SHA-THE-408e7524-23
0.288
SAL-INS-68b48d12-6
0.288
JUA-UNI-b93289a4-6
0.287
MAK-UNK-c44f4be0-10
0.287
YUN-WES-64c64eb2-2
0.287
YUN-WES-58b0dbae-7
0.287
MAR-SOS-c7881798-7
0.286
MAR-SOS-82e3a7c7-4
0.286
PAU-UNI-6d15a9f5-4
0.284
MAR-TRE-e86a56b5-81
0.283
SAL-INS-68b48d12-2
0.281
ABH-HOE-1cbf6cd9-4
0.278
NIM-UNI-ed9fc491-4
0.276
PRA-UNK-c22cca29-1
0.276
MAR-SOS-c7881798-12
0.276
MAR-SOS-82e3a7c7-3
0.276
MAR-TRE-e86a56b5-98
0.276
JOH-MSK-8ad0fd05-1
0.273
OLE-CAR-5b17bec5-8
0.270
PAU-UNI-6d15a9f5-6
0.269
NIM-UNI-ed9fc491-3
0.269
ABH-HOE-1cbf6cd9-2
0.269
ABH-HOE-1cbf6cd9-1
0.268
BAR-COM-4e090d3a-19
0.265
MAT-POS-bfefc3ea-3
0.264
MAT-POS-bfefc3ea-2
0.264
ARI-TAT-5792557e-4
0.262
MAR-TRE-f6f5f473-80
0.261
JOH-MSK-46727e7b-1
0.260
SHA-THE-408e7524-16
0.259
MAR-SOS-c7881798-10
0.259
MAR-SOS-82e3a7c7-5
0.259
MAK-UNK-f983951f-22
0.258
YUN-WES-64c64eb2-1
0.257
YUN-WES-58b0dbae-2
0.257
YUN-WES-58b0dbae-1
0.256
MAR-TRE-e86a56b5-55
0.255
YIA-UNI-71f25a82-2
0.254
MAK-UNK-10799360-26
0.254
YUN-WES-58b0dbae-6
0.254
YUN-WES-85ecc354-1
0.254
BAR-COM-4e090d3a-7
0.250
MAR-SOS-82e3a7c7-11
0.250
MAR-SOS-c7881798-1
0.250
NIM-UNI-ed9fc491-2
0.250
MAK-UNK-27459e11-12
0.247
OLE-CAR-5b17bec5-9
0.247
PAU-UNI-6d15a9f5-5
0.246
MAR-TRE-e86a56b5-31
0.245
YUN-WES-64c64eb2-6
0.245
YUN-WES-58b0dbae-8
0.245
MAK-UNK-a7992eb3-18
0.244
CHA-KIN-bfe9b535-3
0.244
NIC-BIO-b40446ce-2
0.244
MAK-UNK-c44f4be0-7
0.244
SHA-THE-408e7524-12
0.244
VOL-CHA-d666e5ae-4
0.243
YUN-WES-64c64eb2-5
0.243
MAK-UNK-a7992eb3-26
0.242
YIA-UNI-f2fa0570-1
0.242
CHA-KIN-bfe9b535-8
0.242
CHA-KIN-bfe9b535-1
0.242
NIM-UNI-ed9fc491-1
0.241
MAR-TRE-e86a56b5-47
0.240
JAN-GHE-86445305-1
0.239
STE-KUL-d79e3d6a-4
0.238
YUN-WES-58b0dbae-3
0.238
BEN-DND-362d364a-1
0.238
CHA-KIN-bfe9b535-7
0.237
MAK-UNK-af83ef51-2
0.236
MAK-UNK-c44f4be0-9
0.236
MAR-SOS-c7881798-4
0.235
MAR-SOS-82e3a7c7-12
0.235
VOL-CHA-d666e5ae-2
0.234
MAR-SOS-82e3a7c7-2
0.234
MAR-SOS-c7881798-3
0.234
JAN-GHE-f375bf5b-1
0.234
CHA-KIN-bfe9b535-9
0.234
MAR-SOS-82e3a7c7-10
0.233