General Information of the Compound
| Compound ID |
CP0464893
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| Compound Name |
2-heptan-4-yl-7-(4-methoxy-2-methylphenyl)-10-methyl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
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| Structure |
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| Formula |
C25H33N3O
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| Molecular Weight |
391.559
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| Canonical SMILES |
CCCC(CCC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
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| InChI |
InChI=1S/C25H33N3O/c1-6-8-20(9-7-2)28-16-19-12-13-27(22-11-10-21(29-5)14-17(22)3)25-24(19)23(28)15-18(4)26-25/h10-11,14-16,20H,6-9,12-13H2,1-5H3
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| InChIKey |
AIVXYLURMNSEIQ-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