Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1 |
MW: | 357.885 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 5.7439 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.05667196423036 |
IC50 (µM) - RapidFire: | 3.30035664032594 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
EDJ-MED-c314995a-1
DAR-DIA-1d7f034a-1
MAR-UCB-ad2ff052-2
MAR-UCB-ad2ff052-1
MAR-UCB-ad2ff052-3
MIC-UNK-c66144cb-6
MIC-UNK-c66144cb-4
MIC-UNK-c66144cb-2
MIC-UNK-c66144cb-3
MIC-UNK-c66144cb-5
MIC-UNK-c66144cb-1
MIC-UNK-6ab519a7-1
DAR-DIA-667e571f-7
DAR-DIA-667e571f-4
DAR-DIA-667e571f-3
DAR-DIA-667e571f-1
DAR-DIA-667e571f-5
DAR-DIA-667e571f-2
DAR-DIA-667e571f-6
VLA-UCB-05e51b3f-1
VLA-UCB-05e51b3f-16
VLA-UCB-05e51b3f-15
VLA-UCB-05e51b3f-13
VLA-UCB-05e51b3f-11
VLA-UCB-05e51b3f-10
VLA-UCB-05e51b3f-2
VLA-UCB-05e51b3f-14
VLA-UCB-05e51b3f-12
VLA-UCB-05e51b3f-9
VLA-UCB-05e51b3f-8
VLA-UCB-05e51b3f-7
VLA-UCB-05e51b3f-6
VLA-UCB-05e51b3f-5
VLA-UCB-05e51b3f-4
VLA-UCB-05e51b3f-3
VLA-UCB-05e51b3f-20
VLA-UCB-05e51b3f-19
VLA-UCB-05e51b3f-18
VLA-UCB-05e51b3f-17
RAY-UNI-5365d7e5-1
PET-UNK-a17c93d1-1
VLA-UCB-34f3ed0c-14
VLA-UCB-34f3ed0c-12
VLA-UCB-34f3ed0c-11
VLA-UCB-34f3ed0c-8
VLA-UCB-34f3ed0c-7
VLA-UCB-34f3ed0c-5
VLA-UCB-34f3ed0c-1
VLA-UCB-34f3ed0c-20
VLA-UCB-34f3ed0c-18
VLA-UCB-34f3ed0c-17
VLA-UCB-34f3ed0c-16
VLA-UCB-34f3ed0c-10
VLA-UCB-34f3ed0c-2
VLA-UCB-34f3ed0c-15
VLA-UCB-34f3ed0c-13
VLA-UCB-34f3ed0c-9
VLA-UCB-34f3ed0c-6
VLA-UCB-34f3ed0c-4
VLA-UCB-34f3ed0c-21
VLA-UCB-34f3ed0c-19
VLA-UCB-34f3ed0c-3
VLA-UNK-f702bf1c-6
VLA-UNK-f702bf1c-8
VLA-UNK-f702bf1c-2
VLA-UNK-f702bf1c-1
VLA-UNK-f702bf1c-7
VLA-UNK-f702bf1c-4
VLA-UNK-f702bf1c-3
VLA-UNK-f702bf1c-5
JOR-UNI-2fc98d0b-8
0.868
JOR-UNI-61e7b1d5-18
0.713
JOR-UNI-2fc98d0b-17
0.667
MAT-POS-136e7878-1
0.651
JOR-UNI-2fc98d0b-2
0.649
JOR-UNI-2fc98d0b-13
0.631
JOR-UNI-61e7b1d5-9
0.617
JOR-UNI-2fc98d0b-15
0.616
ERI-UCB-ce40166b-23
0.610
JOR-UNI-2fc98d0b-11
0.607
JOR-UNI-2fc98d0b-6
0.593
JOR-UNI-2fc98d0b-10
0.593
EDJ-MED-c314995a-1
0.584
VLA-UCB-05e51b3f-14
0.584
JOR-UNI-2fc98d0b-16
0.583
JOR-UNI-2fc98d0b-3
0.570
JOR-UNI-2fc98d0b-9
0.565
JOR-UNI-2fc98d0b-14
0.557
RAY-UNI-5365d7e5-1
0.552
JOR-UNI-61e7b1d5-20
0.545
MIC-UNK-cdc2493e-1
0.544
JOR-UNI-2fc98d0b-5
0.534
JOR-UNI-2fc98d0b-1
0.534
JOR-UNI-2fc98d0b-4
0.534
MAT-UCB-93f6aed8-2
0.532
JOR-UNI-61e7b1d5-19
0.510
JOR-UNI-61e7b1d5-30
0.479
MAT-POS-173a45da-1
0.458
JOR-UNI-61e7b1d5-7
0.456
JOR-UNI-61e7b1d5-24
0.454
FRA-FAC-9ed5a63a-1
0.449
AAR-POS-d2a4d1df-13
0.449
ALE-HEI-f28a35b5-9
0.449
MIC-UNK-bcd487e9-2
0.443
JOR-UNI-61e7b1d5-21
0.434
JOR-UNI-61e7b1d5-28
0.433
VLA-UCB-34f3ed0c-2
0.429
JOR-UNI-61e7b1d5-26
0.429
JOR-UNI-61e7b1d5-16
0.424
EMI-TUK-a58865cc-5
0.424
MAT-POS-136e7878-2
0.420
JOR-UNI-61e7b1d5-5
0.418
EMI-TUK-a58865cc-7
0.414
KEI-TRE-d5e2018a-16
0.413
MIC-UNK-cdc2493e-15
0.412
KEI-TRE-d5e2018a-19
0.411
JOR-UNI-61e7b1d5-22
0.410
JOR-UNI-61e7b1d5-10
0.410
EMI-TUK-a58865cc-6
0.409
MIC-UNK-bcd487e9-3
0.408
EMI-TUK-a58865cc-4
0.404
MAT-POS-53907a1c-2
0.404
MIC-UNK-cdc2493e-2
0.398
JOR-UNI-61e7b1d5-12
0.394
JAN-GHE-f4ca5a00-11
0.394
EDG-MED-0da5ad92-2
0.390
JOR-UNI-61e7b1d5-3
0.390
JOR-UNI-61e7b1d5-14
0.390
WIL-UNI-5578df48-2
0.390
JAN-GHE-83b26c96-19
0.388
DAR-DIA-23aa0b97-14
0.388
WAR-XCH-eb7b662f-7
0.388
JOR-UNI-2fc98d0b-7
0.388
DAR-DIA-1d7f034a-1
0.385
MAR-UCB-ad2ff052-3
0.385
WIL-UNI-5578df48-3
0.384
CHR-SOS-7098f804-12
0.383
ADA-UCB-dc2b944c-17
0.381
ADA-UCB-dc2b944c-3
0.381
ADA-UNI-f8e79267-12
0.380
ADA-UCB-dc2b944c-2
0.380
VLA-UCB-34f3ed0c-6
0.375
MAT-POS-53907a1c-3
0.374
EMI-TUK-a58865cc-3
0.371
ASH-UNK-40b46b30-3
0.371
MAT-UCB-70f7c0f7-5
0.366
ALE-HEI-f28a35b5-8
0.366
ASH-UNK-40b46b30-9
0.363
JOH-IMS-62aeb97d-1
0.361
JOR-UNI-61e7b1d5-31
0.361
EMI-TUK-a58865cc-2
0.359
MED-UNK-e6e8ef8a-7
0.357
EDG-MED-0da5ad92-20
0.357
MED-UNK-e6e8ef8a-1
0.357
ADA-UNI-f8e79267-9
0.357
MAT-UCB-93f6aed8-1
0.357
PET-UNK-a17c93d1-1
0.355
EMI-TUK-a58865cc-1
0.355
BEN-BAS-e0d85f98-1
0.354
MIC-UNK-bcd487e9-4
0.352
MIC-UNK-bcd487e9-6
0.352
ADA-UNI-f8e79267-11
0.351
MIC-UNK-ea979c74-4
0.350
ADA-UCB-dc2b944c-6
0.349
WIL-UNI-5578df48-4
0.348
ALF-EVA-650655fc-5
0.347
ALF-EVA-650655fc-3
0.345
WIL-UNI-5578df48-1
0.345
ASH-UNK-40b46b30-13
0.344
JOR-UNI-61e7b1d5-25
0.342