Molecular Properties | |
SMILES: | COC(=O)c1cc(/C=c2\sc(=C(C#N)C#N)n(-c3cccc(C(F)(F)F)c3)c2=O)oc1C |
MW: | 459.05 |
Fraction sp3: | 0.14 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 109.02 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Filter70_AlkylCN2
too many cyano Groups (>1)
Ester
geminal_dinitriles
MAT-POS-a3f7f96a-3
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UNK-UNK-2ede4078-103
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UNK-CYC-68f84b31-49
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UNK-CYC-68f84b31-37
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UNK-CYC-68f84b31-25
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MAT-POS-a3f7f96a-4
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NIL-NON-a189c016-1
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MAT-POS-162a9720-2
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BRU-UNI-248b30bc-29
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KEI-TRE-d5e2018a-94
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JOH-UNI-61f30276-4
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ERI-UCB-a0b0dbcb-4
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ROD-LAS-d5538ff9-1
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UNK-UNK-2ede4078-24
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MAT-POS-b5746674-73
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UNK-CYC-68f84b31-80
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UNK-CYC-68f84b31-58
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LON-WEI-5e7d1b3e-23
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LON-WEI-4d77710c-23
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UNK-CYC-68f84b31-68
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UNK-CYC-68f84b31-46
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DRA-CSI-0a78d9ba-4
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MAR-LAB-ff9967db-18
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UNK-CYC-68f84b31-32
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UNK-CYC-68f84b31-75
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JAG-UCB-a3ef7265-21
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MEL-NAT-8c3652c8-1
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MAR-TRE-a3327163-14
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KOV-VNK-5e1a909f-14
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LIZ-THE-d3ff4653-1
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MAR-TRE-fd17a9b8-88
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DAR-DIA-0cde14eb-76
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ARI-TAT-26e9d03d-1
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MAR-TRE-74c6519b-89
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STE-UNK-28609fce-1
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INS-INS-bc954fb0-1
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JAG-UCB-1d922829-6
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LON-WEI-adc59df6-15
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NIM-NMI-8bb27a2b-25
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UNK-CYC-68f84b31-17
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MAR-LAB-ff9967db-31
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TAT-ENA-80bfd3e5-35
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MAT-POS-b5746674-136
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TAT-ENA-80bfd3e5-27
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MAR-LAB-ff9967db-12
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UNK-CYC-68f84b31-65
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MAK-UNK-9e4a73aa-33
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MAR-TRE-3e4e6814-30
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MAK-UNK-9e4a73aa-1
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DRA-CSI-7ec17797-15
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MAR-TRE-0fda4e82-59
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UNK-CYC-68f84b31-60
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WIL-UNI-5578df48-38
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UNK-CYC-68f84b31-62
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MAK-UNK-10dfa458-12
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RAL-THA-2d450e86-31
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MAK-UNK-9e4a73aa-28
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TAT-ENA-80bfd3e5-24
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LON-WEI-b8d98729-37
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LON-WEI-5e7d1b3e-69
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LON-WEI-4d77710c-69
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JOH-UNI-c7afdb96-16
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LON-WEI-1908424e-12
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BEN-VAN-ed886787-17
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MAT-POS-b5746674-75
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UNK-CYC-68f84b31-79
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KOV-VNK-5e1a909f-17
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ALP-POS-d0876c20-11
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ALP-POS-95b75b4d-9
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UNK-CYC-68f84b31-13
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UNK-CYC-68f84b31-53
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KOV-VNK-5e1a909f-15
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WIL-UNI-1faa9b10-31
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