Molecular Properties | |
SMILES: | CCCCc1nc(-c2nccn2CCc2ccccn2)c[nH]1 |
MW: | 295.18 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 59.39 |
cLogP: | 3.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8144406191 |
MolPort: | MolPort-019-888-189 |
Activity Data | |
IC50 (µM) - Fluorescence: | 21.7432931923489 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-10-21 |
MAT-POS-ea426761-55
0.623
MAT-POS-ea426761-51
0.616
MAT-POS-ea426761-72
0.551
MAT-POS-ea426761-49
0.547
MAT-POS-ea426761-53
0.519
MAT-POS-ea426761-74
0.427
MAR-TRE-d3c2bf0e-62
0.392
MAT-POS-ea426761-54
0.380
MAT-POS-ea426761-75
0.347
MAR-TRE-c8530538-14
0.315
MAT-POS-ea426761-73
0.286
MAR-TRE-c8530538-47
0.270
MAR-TRE-d3c2bf0e-57
0.250
AAR-UNI-c25c2f1e-54
0.247
MAR-TRE-4b834d9a-44
0.239
MAR-TRE-c8530538-58
0.239
BEN-DND-93268d01-4
0.237
MAT-POS-ea426761-69
0.237
MAR-TRE-d0525fbf-96
0.231
MAR-TRE-aca67d11-35
0.230
MAR-SOS-c7881798-6
0.229
MAR-SOS-82e3a7c7-6
0.229
MAT-POS-ea426761-50
0.228
RIC-ARG-a8e88843-1
0.225
MAT-POS-ea426761-84
0.225
MAR-TRE-0fda4e82-12
0.224
MAT-POS-b5746674-3
0.223
MAR-TRE-74c6519b-94
0.221
JON-UIO-066ce08b-3
0.221
MAT-POS-ea426761-70
0.220
MAR-TRE-c8530538-79
0.219
MAR-TRE-c8530538-98
0.218
MAR-TRE-c8530538-40
0.217
WIL-UNI-de614146-3
0.217
MAR-TRE-0fda4e82-38
0.215
EDJ-MED-6d9ff7d0-5
0.214
NJA-MAN-b8640440-46
0.214
ALP-UNI-fe744232-5
0.213
MAR-TRE-c8530538-33
0.211
MAR-TRE-a3327163-31
0.211
MAR-TRE-3159af1a-20
0.209
TRI-UNI-97428359-2
0.208
MAR-TRE-423310b6-84
0.207
MAT-POS-ea426761-89
0.206
DRR-IMP-38dce17f-5
0.205
MAT-POS-b5746674-49
0.204
TRI-UNI-97428359-1
0.204
ROM-UNK-ef52a3c9-2
0.204
JON-UNI-93996c9d-2
0.202
MAR-TRE-f6f5f473-86
0.202
TRI-UNI-97428359-3
0.202
MAR-TRE-fd17a9b8-70
0.202
CAT-CEN-91a3f3b0-1
0.200
MAR-TRE-9c797165-93
0.200
JON-UNI-93996c9d-12
0.200
MAR-TRE-1c920f6f-75
0.200
JUL-TUD-06b2044f-125
0.198
COM-UCB-8c7d23dc-15
0.196
MAR-TRE-fd17a9b8-31
0.196
NIC-BIO-5044b423-1
0.196
MAR-TRE-e86a56b5-33
0.195
MAR-TRE-c8530538-99
0.195
DAN-MCD-52f1549c-1
0.195
DAN-MCD-8aee1169-1
0.195
MAR-TRE-f6f5f473-49
0.194
MAT-POS-ea426761-87
0.194
MAR-TRE-9d18ae8c-51
0.194
LON-WEI-4d77710c-49
0.194
LON-WEI-5e7d1b3e-49
0.194
RAL-THA-6e4c80cf-4
0.194
MAR-TRE-aca67d11-6
0.194
JOH-IMS-54aa76a2-2
0.193
MAR-TRE-f6f5f473-38
0.193
NJA-MAN-00c90aa2-60
0.193
AAR-UNI-c25c2f1e-98
0.192
ROD-LAS-d5538ff9-2
0.192
IND-SYN-6c8299e8-4
0.192
MAR-TRE-3e4e6814-32
0.191
MAR-TRE-c8530538-96
0.191
MAR-TRE-3159af1a-26
0.191
WIL-UNI-d4749f31-6
0.191
MAR-TRE-b77b7921-76
0.190
MAT-POS-b5746674-128
0.190
MAR-TRE-04c86cea-18
0.190
MAT-POS-ea426761-85
0.190
MAR-TRE-c8530538-59
0.188
IAN-BAS-36ca50f1-1
0.188
NJA-MAN-00c90aa2-61
0.188
MAR-TRE-f6f5f473-19
0.188
IAN-BAS-09a74a47-1
0.188
THO-SYG-cc9e9a11-3
0.188
JON-UNI-93996c9d-6
0.188
MAR-TRE-3e4e6814-24
0.187
MAR-TRE-ebcc4ad6-47
0.187
DUN-NEW-f8ce3686-7
0.186
MAR-TRE-d0525fbf-34
0.186
JAN-GHE-4287bd1a-7
0.186
ALP-POS-c0c213c9-14
0.186
JON-UNI-93996c9d-7
0.186
HAN-FNM-eeb9c1b3-1
0.186