Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N1CCC(CN2CCc3ccccc32)CC1 |
MW: | 336.2 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 48.47 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2021-06-23 |
Synthesis Location: | enamine |
Shipped: | 2021-07-28 |
ALE-HEI-f28a35b5-16
0.449
JOH-IMS-62aeb97d-3
0.438
JOH-IMS-62aeb97d-4
0.430
SAD-SAT-2fd372d1-7
0.410
MAR-TRE-2fd8122f-54
0.387
MAR-TRE-4b834d9a-49
0.358
LON-WEI-120e5cf5-11
0.344
SAD-SAT-689b7d5a-2
0.343
MED-UNK-e6e8ef8a-7
0.333
MAR-TRE-74c6519b-42
0.330
MAR-TRE-2fd8122f-91
0.323
MAR-TRE-4b834d9a-45
0.323
MAR-TRE-2fd8122f-49
0.323
KEI-TRE-d5e2018a-37
0.323
MAK-UNK-c749d764-13
0.323
SAD-SAT-689b7d5a-9
0.322
ALE-HEI-f28a35b5-9
0.322
AAR-POS-d2a4d1df-13
0.322
FRA-FAC-9ed5a63a-1
0.322
THO-SYG-f9b2970d-6
0.321
JOH-IMS-62aeb97d-5
0.321
TAM-UNI-c140e31a-12
0.320
MAR-TRE-7f7bb9f0-33
0.320
NAU-LAT-64f4b287-10
0.319
FRA-FAC-9ed5a63a-4
0.319
MED-UNK-e6e8ef8a-5
0.318
TAM-UNI-c140e31a-14
0.317
BEN-DND-6de5dfa0-13
0.317
WIL-UNI-5578df48-25
0.317
BEN-DND-93268d01-12
0.317
FRA-FAC-9ed5a63a-2
0.315
MED-UNK-e6e8ef8a-2
0.315
MED-UNK-e6e8ef8a-3
0.315
ALE-HEI-f28a35b5-14
0.313
ALE-HEI-f28a35b5-15
0.313
MAR-TRE-67513f76-81
0.312
SAD-SAT-135344c3-1
0.311
ALE-HEI-f28a35b5-8
0.310
MAR-TRE-2fd8122f-90
0.309
AAR-POS-d2a4d1df-11
0.309
MAR-TRE-9c797165-52
0.309
MAR-TRE-d0525fbf-90
0.309
MED-UNK-e6e8ef8a-4
0.308
TAM-UNI-c140e31a-7
0.308
MAR-TRE-f6f5f473-78
0.308
SAD-SAT-cefd50cc-1
0.308
SAD-SAT-135344c3-4
0.307
JOH-IMS-62aeb97d-1
0.307
NAU-LAT-445f63e5-6
0.306
DAV-CRI-1c77f7a9-6
0.306
ANT-DIA-3c79be55-5
0.305
MAR-TRE-74c6519b-91
0.305
JAG-UCB-a3ef7265-7
0.305
TAM-UNI-c140e31a-6
0.305
MAR-TRE-2fd8122f-63
0.305
MAK-UNK-009ebe36-10
0.304
SAD-SAT-135344c3-5
0.304
MAK-UNK-ca11b4f7-1
0.304
MED-UNK-e6e8ef8a-1
0.303
FRA-FAC-9ed5a63a-3
0.303
DAR-DIA-842b4336-11
0.303
DAR-DIA-842b4336-2
0.302
MAR-TRE-2fd8122f-27
0.302
MAR-TRE-3e4e6814-67
0.302
MAR-TRE-74c6519b-54
0.302
MAR-TRE-2fd8122f-16
0.302
LON-WEI-b2874fec-25
0.301
TAM-UNI-c140e31a-13
0.301
MAR-TRE-3e4e6814-54
0.301
MAR-TRE-f6f5f473-31
0.301
MAR-TRE-04c86cea-46
0.300
BAR-COM-5694a99d-1
0.300
MAK-UNK-009ebe36-9
0.299
DRA-CSI-47e38074-6
0.299
ASH-UNK-40b46b30-9
0.299
AUS-ARG-7cfdce8f-11
0.299
WIL-UNI-5578df48-30
0.298
SAD-SAT-689b7d5a-4
0.298
WIL-UNI-5578df48-2
0.298
PET-SGC-59809fea-1
0.297
MAR-TRE-2fd8122f-47
0.297
MAR-TRE-2fd8122f-43
0.297
ZAC-WAB-d55a3c2e-2
0.297
ZAC-WAB-3baddbb3-1
0.297
THO-SYG-f9b2970d-2
0.297
ASH-UNK-40b46b30-13
0.296
DUN-NEW-f8ce3686-17
0.295
ADA-UNI-f8e79267-6
0.295
MAK-UNK-009ebe36-3
0.294
MAK-UNK-009ebe36-8
0.294
SAD-SAT-135344c3-3
0.294
SAN-PRS-52b81272-2
0.294
MAR-TRE-7f7bb9f0-82
0.294
MAK-UNK-009ebe36-6
0.294
DAR-DIA-842b4336-6
0.293
MAR-TRE-9c797165-80
0.293
MAR-TRE-2fd8122f-13
0.293
MAR-TRE-2fd8122f-72
0.293
MAR-TRE-3e4e6814-59
0.293
MAR-TRE-b77b7921-80
0.293