Molecular Properties | |
SMILES: | Cc1cc(Br)cc2c1N(CCBr)C(=O)C2=O |
MW: | 344.9 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 37.38 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z808208506 |
Mcule: | MCULE-7315708287 |
MolPort: | MolPort-000-302-815 |
Activity Data | |
IC50 (µM) - RapidFire: | 16.7129521180138 |
Order Status | |
Shipped: | 2020-06-01 |
diketo group
Filter1_2_halo_ether
Filter9_metal
Filter41_12_dicarbonyl
Filter75_alkyl_Br_I
Filter84_nitrogen_mustard
mustards
aryl bromide
Ketone
Alkyl Halide
LOR-NOR-c954e7ad-2
0.755
LOR-NOR-30067bb9-4
0.545
LOR-NOR-30067bb9-7
0.485
LOR-NOR-c954e7ad-3
0.284
LOR-NOR-30067bb9-6
0.273
DAR-DIA-53551c05-1
0.260
LOR-NOR-c954e7ad-1
0.253
LOR-NOR-30067bb9-5
0.244
LOR-NEU-c8f11034-2
0.243
LOR-NOR-30067bb9-12
0.230
LOR-NOR-30067bb9-18
0.224
LOR-NEU-c8f11034-9
0.222
LOR-NOR-30067bb9-11
0.218
LOR-NOR-c954e7ad-4
0.217
LOR-NEU-c8f11034-5
0.214
DAR-DIA-53551c05-4
0.211
LOR-NOR-30067bb9-8
0.210
LOR-NOR-30067bb9-15
0.203
DAR-DIA-53551c05-9
0.202
MAR-TRE-0fda4e82-26
0.200
DAR-DIA-53551c05-2
0.198
DAR-DIA-53551c05-19
0.195
LOR-NOR-30067bb9-10
0.195
LOR-NOR-30067bb9-17
0.190
DAR-DIA-53551c05-10
0.188
MAT-POS-162a9720-13
0.188
MAD-UNK-521a29d8-1
0.185
DAR-DIA-53551c05-3
0.185
PET-UNK-94460c07-4
0.180
PET-UNK-94460c07-3
0.179
LOR-NOR-c954e7ad-5
0.178
LOR-NEU-c8f11034-3
0.175
LOR-NOR-30067bb9-9
0.172
NAU-LAT-b0463c38-3
0.172
DAR-DIA-53551c05-21
0.167
LON-WEI-5e7d1b3e-4
0.165
MAR-TRE-fd17a9b8-26
0.165
LON-WEI-4d77710c-4
0.165
LOR-NOR-c954e7ad-6
0.165
MAR-TRE-04c86cea-13
0.162
DAR-DIA-53551c05-8
0.160
LOR-NOR-30067bb9-3
0.160
MAK-UNK-7a704a63-16
0.160
MAK-UNK-c8c8f7e2-39
0.160
JAG-UCB-c61058a9-16
0.160
DAR-DIA-53551c05-7
0.159
AAR-POS-0daf6b7e-46
0.159
DAR-DIA-53551c05-5
0.158
SEB-HKI-06b43755-2
0.157
ADA-UCB-6c2cb422-6
0.157
LOR-NEU-c8f11034-4
0.156
BEN-VAN-5787f7d3-11
0.156
NAU-LAT-ec9c7557-4
0.156
BEN-VAN-5787f7d3-7
0.155
PAU-UNI-d269d79c-3
0.155
PAU-UNI-589039f7-3
0.155
MAR-TRE-4f781e27-95
0.154
LYN-UNI-b265e4fd-7
0.154
DAR-DIA-53551c05-20
0.154
MAR-TRE-e86a56b5-84
0.153
MAK-UNK-942dcb71-1
0.152
UNK-UNK-2ede4078-41
0.151
ALE-HEI-f28a35b5-12
0.151
MAR-TRE-e86a56b5-11
0.151
ALE-HEI-f28a35b5-13
0.151
NAU-LAT-b0463c38-9
0.151
MAR-TRE-3159af1a-38
0.150
MAN-SYN-45e45961-2
0.150
FRA-BIO-8bf1eac9-7
0.149
MAT-POS-b5746674-41
0.149
EDJ-MED-9f4ac58c-1
0.149
EDJ-MED-9f4ac58c-5
0.149
DRR-IMP-db50bf6e-5
0.149
MAR-TRE-ebcc4ad6-37
0.149
MAR-UCB-195bc32d-25
0.149
NAU-LAT-1b663c1e-5
0.148
HAO-BIO-c9aafde3-10
0.148
MAR-TRE-e86a56b5-5
0.148
JAN-GHE-83b26c96-12
0.148
MAR-TRE-fffca54f-17
0.148
KIM-UNI-60f168f5-6
0.148
SAD-SAT-29425be4-3
0.148
OLE-CAR-5b17bec5-6
0.148
NAU-LAT-b0463c38-8
0.147
MAR-TRE-6c5ef77a-76
0.147
JOH-IMS-54aa76a2-4
0.147
MAN-SYN-45e45961-3
0.146
DAR-DIA-53551c05-6
0.146
BAR-COM-ebf5acce-14
0.146
BEN-VAN-5787f7d3-6
0.146
MAR-TRE-1c920f6f-48
0.145
MAR-TRE-e86a56b5-6
0.145
MAR-TRE-e86a56b5-21
0.145
MAR-TRE-6a44bbf2-83
0.145
AHN-SAT-de2502ba-13
0.145
ROB-UNI-b2e39629-3
0.145
MAR-TRE-7f7bb9f0-44
0.145
MAR-TRE-67513f76-5
0.144
PET-SGC-83d43576-1
0.144
JPB-FNM-d51b4696-1
0.144