Molecular Properties | |
SMILES: | O=C(Nc1nnn2ccccc12)C(Cc1ccsc1)c1ccc(N2CCCCC2=O)cc1 |
MW: | 445.16 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.6 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-08-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ALP-POS-8ed8d9ec-14
0.556
ALP-POS-a3de0cb1-6
0.515
ALP-POS-bad7201a-11
0.500
ALP-POS-bad7201a-13
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ALP-POS-8ed8d9ec-11
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ALP-POS-8ed8d9ec-5
0.468
ALP-POS-8ed8d9ec-8
0.440
ALP-POS-8ed8d9ec-10
0.425
ALP-POS-a3de0cb1-13
0.417
ALP-POS-a3de0cb1-10
0.387
ALP-POS-a3de0cb1-3
0.368
RAL-THA-4a5dabff-5
0.353
ALP-POS-a3de0cb1-7
0.353
RAL-THA-4a5dabff-6
0.336
RAL-THA-4a5dabff-7
0.331
RAL-THA-4a5dabff-4
0.327
ALP-POS-a3de0cb1-2
0.323
ALP-POS-6d04362c-3
0.294
RUT-UNI-630c5802-24
0.293
ALP-POS-a3de0cb1-16
0.279
ALP-POS-c59291d4-3
0.277
ALP-POS-6d04362c-4
0.273
ALP-POS-c59291d4-4
0.268
RUT-UNI-630c5802-27
0.268
ROB-IMP-e811baff-1
0.266
RAL-THA-4a5dabff-2
0.264
PET-UNK-1901c25b-2
0.264
RUT-UNI-630c5802-22
0.264
ALP-POS-c59291d4-2
0.264
MAR-TRE-9d18ae8c-65
0.263
RAL-THA-4a5dabff-1
0.263
ALP-POS-d2866bdf-1
0.262
ALP-POS-8ed8d9ec-13
0.262
ALP-POS-a3de0cb1-9
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RAL-THA-4a5dabff-8
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MAK-UNK-902cc841-4
0.258
PET-UNK-b75fdf9f-1
0.256
ALP-POS-bad7201a-5
0.256
ALP-POS-c59291d4-1
0.256
RUT-UNI-630c5802-1
0.256
BAR-COM-0f94fc3d-53
0.252
RUT-UNI-630c5802-18
0.252
ALP-POS-c0c213c9-6
0.252
RUT-UNI-630c5802-26
0.252
ALP-POS-8ed8d9ec-16
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RUT-UNI-630c5802-23
0.250
ALP-POS-bad7201a-8
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ALP-POS-8ed8d9ec-4
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RUT-UNI-630c5802-25
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ALP-POS-a3de0cb1-14
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ALP-POS-a3de0cb1-12
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RAL-THA-4a5dabff-3
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ALP-POS-a3de0cb1-5
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RUT-UNI-630c5802-17
0.242
RUT-UNI-630c5802-19
0.240
PET-UNK-b75fdf9f-2
0.240
ALP-POS-95f71980-10
0.240
MAK-UNK-c8c8f7e2-6
0.239
ALP-POS-bad7201a-6
0.238
ALP-POS-bad7201a-9
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ALP-POS-8ed8d9ec-15
0.238
MAK-UNK-c8c8f7e2-20
0.238
RUT-UNI-630c5802-21
0.238
RUT-UNI-630c5802-20
0.238
MAR-TRE-67513f76-4
0.236
MAK-UNK-1e8f9e3c-4
0.236
MAK-UNK-902cc841-2
0.235
MAK-UNK-a7992eb3-1
0.235
MAR-TRE-f6f5f473-8
0.233
MAK-UNK-212f693e-15
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MAK-UNK-10dfa458-1
0.233
MAK-UNK-acefcb18-15
0.233
MAK-UNK-a7992eb3-11
0.231
KOV-VNK-5e1a909f-8
0.231
ALP-POS-c0c213c9-12
0.231
HOL-KAN-828c7b64-1
0.230
BEN-DND-22e6b372-3
0.230
MAK-UNK-6435e6c2-3
0.230
ALP-POS-c0c213c9-11
0.228
MAT-POS-ffe83904-1
0.227
AAR-UNI-c25c2f1e-103
0.227
MAK-UNK-7a704a63-20
0.226
MAK-UNK-1e8f9e3c-2
0.226
MAK-UNK-31051d4e-5
0.226
RAL-THA-d07c7800-1
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MAK-UNK-c8c8f7e2-3
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MAK-UNK-7a704a63-18
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MAK-UNK-7a704a63-6
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MAK-UNK-c8c8f7e2-11
0.224
MAK-UNK-c8c8f7e2-41
0.224
ALP-POS-c0c213c9-5
0.224
MAK-UNK-902cc841-3
0.224
RAL-THA-d07c7800-2
0.224
RAL-THA-d07c7800-4
0.224
MAK-UNK-c8c8f7e2-7
0.223
LON-WEI-5e7d1b3e-31
0.223
MAT-POS-2492181e-5
0.223
LON-WEI-4d77710c-31
0.223
MAR-TRE-3e4e6814-26
0.222
PET-UNK-7374c256-1
0.222