Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C[C@H]2C(=O)NCc2ccccc2)cc1 |
MW: | 449.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 1.75 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.65206124457083 |
Order Status | |
Shipped: | 2021-09-16 |
Hetero_hetero
DAN-MCD-34fd4f29-1
0.753
DAN-MCD-9b81d1fa-1
0.707
DAN-MCD-b3a5626f-1
0.707
DAN-MCD-881986d8-1
0.586
DAN-MCD-5390ac8b-1
0.567
DAN-MCD-1a622181-1
0.527
DAN-MCD-9950a804-1
0.527
DAN-MCD-8aee1169-1
0.495
DAN-MCD-52f1549c-1
0.495
DAN-MCD-68a9aade-1
0.462
DAN-MCD-a37c31cb-1
0.462
DAN-MCD-e5161b06-1
0.462
DAN-MCD-f396e45b-1
0.454
DAN-MCD-9cdc9f7f-1
0.454
DAN-MCD-3bfdcef2-1
0.443
DAN-MCD-50d01569-1
0.431
DAN-MCD-93e7aadc-1
0.429
MAR-LAB-efb042c5-5
0.425
AAR-POS-d2a4d1df-27
0.425
MAR-TRE-6a44bbf2-68
0.425
DAN-MCD-0fb4364c-1
0.424
NAU-LAT-f723e322-5
0.411
DAN-MCD-0c04f563-1
0.400
DAN-MCD-0742953f-1
0.398
DAN-MCD-7eba3d41-1
0.394
DAN-MCD-c163c0bb-1
0.394
DAN-MCD-02570321-1
0.390
DAN-MCD-cb24a79d-1
0.386
MAK-UNK-3f402c2b-5
0.379
DUN-NEW-f8ce3686-22
0.379
WAR-XCH-79d12f6e-4
0.368
MAK-UNK-7c9d1431-9
0.366
MAR-TRE-6a44bbf2-21
0.366
SAD-SAT-9a6c5cf3-2
0.354
JOE-SYG-2c9a1216-1
0.351
GIA-UNK-7337c2f3-7
0.348
MAK-UNK-69bf97dd-9
0.347
DAN-MCD-3ec20f87-1
0.343
MAK-UNK-69bf97dd-1
0.343
MAK-UNK-af83ef51-2
0.341
SAL-INS-1ea6d4ee-4
0.340
MAK-UNK-7c9d1431-23
0.337
MAR-TRE-6a44bbf2-28
0.337
SAD-SAT-29425be4-29
0.333
DRR-IMP-38dce17f-3
0.333
MAK-UNK-7c9d1431-24
0.333
SAD-SAT-c989feaa-4
0.333
DUN-NEW-f8ce3686-25
0.333
SIM-SYN-7db9eb24-1
0.333
SAD-SAT-581007d4-4
0.330
AAR-POS-d2a4d1df-25
0.325
AHN-SAT-de2502ba-8
0.325
MAR-TRE-2fd8122f-6
0.324
MAK-UNK-7c9d1431-3
0.323
DRR-IMP-dff87f5e-2
0.323
AHN-SAT-de2502ba-1
0.323
PEI-IMP-e4a008a2-1
0.322
SAD-SAT-2fd372d1-2
0.318
SAD-SAT-c989feaa-9
0.317
MAK-UNK-df1a028e-5
0.316
MAK-UNK-7c9d1431-17
0.315
BEN-DND-362d364a-1
0.314
BAP-BUY-55f8bcae-1
0.312
DRR-IMP-db50bf6e-4
0.312
SEL-UNI-cd366922-2
0.312
BEN-DND-76ad4ac9-9
0.312
BEN-DND-03406596-1
0.312
MED-COV-4280ac29-5
0.311
YOI-UNK-a533afbc-6
0.309
YOI-UNK-12211982-6
0.309
TAT-ENA-80bfd3e5-25
0.309
MAK-UNK-7c9d1431-4
0.309
GIA-UNK-20b63697-1
0.308
MAK-UNK-af83ef51-6
0.308
DAN-LON-a5fc619e-7
0.307
PAU-WEI-c6d65c11-1
0.307
MAR-TRE-6a44bbf2-78
0.307
MAK-UNK-7c9d1431-13
0.307
AAR-POS-d2a4d1df-24
0.307
NIM-UNI-05f93fcc-11
0.305
GIA-UNK-20b63697-5
0.305
MAK-UNK-10dfa458-39
0.304
MAK-UNK-7c9d1431-22
0.304
MAK-UNK-15efde89-1
0.303
GIA-UNK-20b63697-7
0.303
AHN-SAT-de2502ba-7
0.302
MAK-UNK-6ca90168-10
0.302
MAT-POS-b5746674-51
0.302
MAK-UNK-987948f6-2
0.301
MAR-TRE-6a44bbf2-9
0.301
SIM-SYN-3099a863-3
0.301
AAR-POS-d2a4d1df-34
0.300
DRR-IMP-dff87f5e-5
0.300
PEI-IMP-ca0b2813-1
0.300
MAR-TRE-6a44bbf2-26
0.300
MAR-TRE-6a44bbf2-8
0.300
MAK-UNK-7c9d1431-8
0.300
MAK-UNK-7c9d1431-6
0.300
MAK-UNK-7c9d1431-27
0.300
MAR-TRE-6a44bbf2-12
0.300