General Information of the Compound
| Compound ID |
CP0133399
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| Compound Name |
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
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| Structure |
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| Formula |
C22H25N5
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| Molecular Weight |
359.477
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| Canonical SMILES |
Cc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12
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| InChI |
InChI=1S/C22H25N5/c1-16-15-24-22-21(23-9-12-26-10-5-2-6-11-26)25-19-13-17-7-3-4-8-18(17)14-20(19)27(16)22/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H,23,25)
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| InChIKey |
KFIFSKNSIUVOCG-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