Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCOCC2)c(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 419.913 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.91 |
cLogP: | 0.98308 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
TAM-UNI-d1c3dd9f-1
1.000
JAN-GHE-fd8d85a5-12
0.813
SAD-SAT-f25ee457-4
0.704
STU-CHA-6cae54d3-1
0.700
DAR-DIA-fb20be43-17
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MAK-UNK-ec98eaf6-25
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WIL-LEE-1f71e281-1
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SCO-VAN-260d9628-4
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SAD-SAT-f25ee457-9
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TAM-UNI-d1c3dd9f-12
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DAR-DIA-fb20be43-18
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PET-SGC-276eba5a-1
0.510
PAU-WEI-f734c343-2
0.510
TAM-UNI-d1c3dd9f-17
0.506
TAM-UNI-d1c3dd9f-18
0.506
DAR-DIA-fb20be43-3
0.500
SAD-SAT-f25ee457-3
0.495
STU-CHA-7b3b91d5-1
0.490
STU-CHA-5350f95a-1
0.469
DAR-DIA-fb20be43-6
0.461
AAR-POS-d2a4d1df-21
0.444
BRU-LEF-ae0885ba-1
0.443
PAU-UNI-52c0427f-1
0.443
DAR-DIA-fb20be43-4
0.443
STU-CHA-6d5cfe2b-1
0.438
MAK-UNK-10799360-12
0.431
MAK-UNK-6ca90168-14
0.430
DRR-IMP-38dce17f-7
0.430
PET-SGC-0ecb2cfe-1
0.426
PET-SGC-cb83a00c-1
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SWA-SYN-d2e6fa14-7
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SWA-SYN-6423ea73-7
0.417
MAT-POS-ee51dedd-1
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ANT-DIA-b7f58f21-9
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NEH-REV-107bcf72-5
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STU-CHA-128b80be-1
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TAM-UNI-d1c3dd9f-4
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TAM-UNI-d1c3dd9f-16
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PAT-GYR-359dbb24-2
0.384
SAD-SAT-f25ee457-2
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DAV-CRI-d1e0885a-2
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TAM-UNI-d1c3dd9f-21
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BOG-INS-bdba9cfb-1
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PAT-GYR-359dbb24-1
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JON-UIO-066ce08b-10
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DAR-DIA-fb20be43-1
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DAR-DIA-caba39e3-12
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DAV-CRI-d1e0885a-3
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MED-COV-4280ac29-37
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JAN-GHE-fd8d85a5-8
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MAK-UNK-7c9d1431-20
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MAK-UNK-849bee6c-14
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ROB-UNI-b2e39629-12
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MAK-UNK-7c9d1431-16
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MAK-UNK-7c9d1431-14
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MAR-TRE-6a44bbf2-54
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DAV-CRI-d1e0885a-1
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KIM-UNI-7d12df64-2
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PAT-GYR-359dbb24-3
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MED-COV-4280ac29-35
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SAD-SAT-bc31ec01-1
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MED-COV-4280ac29-31
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PAT-GYR-359dbb24-4
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AAR-POS-d2a4d1df-40
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HYO-UNK-50298ba0-1
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DAR-DIA-fb20be43-2
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DAR-DIA-fb20be43-5
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DAR-DIA-fb20be43-7
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SEL-UNI-cd366922-6
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DAR-DIA-fb20be43-8
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PAU-UNI-19862c28-1
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MAK-UNK-10799360-19
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SAD-SAT-65574d3f-10
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PAT-GYR-de8eec61-4
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MAK-UNK-7c9d1431-18
0.348
AAR-POS-0daf6b7e-2
0.345
DRR-IMP-dff87f5e-9
0.345
DRR-IMP-38dce17f-8
0.344
PAT-GYR-359dbb24-5
0.344
MED-COV-4280ac29-24
0.344
PAT-GYR-de8eec61-5
0.343
MAR-LAB-ca4662a6-2
0.341
DAV-CRI-d1e0885a-6
0.340
DAR-DIA-fb20be43-10
0.340
DAR-DIA-fb20be43-15
0.340
TAM-UNI-d1c3dd9f-7
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AAR-POS-d2a4d1df-24
0.337
MIH-UNI-e573136b-5
0.337
STE-UNK-13e151dd-1
0.337
DAV-CRI-d1e0885a-4
0.337
PAT-GYR-de8eec61-1
0.337
MAK-UNK-849bee6c-9
0.337
MAK-UNK-10dfa458-38
0.337
SEA-TRI-67e8f1c7-1
0.336
MAK-UNK-849bee6c-4
0.333
MAK-UNK-7c9d1431-24
0.333
TAM-UNI-d1c3dd9f-20
0.333
SAD-SAT-5b1897b2-2
0.333
MAK-UNK-f983951f-21
0.333
DRR-IMP-38dce17f-3
0.333