General Information of the Compound
| Compound ID |
CP0416806
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| Compound Name |
1-[5-(4-phenyldiazenylphenyl)pent-4-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
OC(=O)C1CCCN(CCCC=Cc2ccc(cc2)N=Nc2ccccc2)C1
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| InChI |
InChI=1S/C23H27N3O2/c27-23(28)20-9-7-17-26(18-20)16-6-2-3-8-19-12-14-22(15-13-19)25-24-21-10-4-1-5-11-21/h1,3-5,8,10-15,20H,2,6-7,9,16-18H2,(H,27,28)
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| InChIKey |
AOZOTQVJPZKRQD-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