General Information of the Compound
| Compound ID |
CP0560522
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| Compound Name |
1-[4-(4-phenyldiazenylphenyl)but-3-ynyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
OC(=O)C1CCCN(CCC#Cc2ccc(cc2)N=Nc2ccccc2)C1
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| InChI |
InChI=1S/C22H23N3O2/c26-22(27)19-8-6-16-25(17-19)15-5-4-7-18-11-13-21(14-12-18)24-23-20-9-2-1-3-10-20/h1-3,9-14,19H,5-6,8,15-17H2,(H,26,27)
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| InChIKey |
WUOGDMCTFYTJQA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound