General Information of the Compound
| Compound ID |
CP0503324
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| Compound Name |
3-pentan-3-yl-7-[(2,4,6-trimethylphenyl)methyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
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| Structure |
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| Formula |
C23H28N4
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| Molecular Weight |
360.505
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| Canonical SMILES |
CCC(CC)n1ccc2c(Cc3c(C)cc(C)cc3C)nc3ccnn3c12
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| InChI |
InChI=1S/C23H28N4/c1-6-18(7-2)26-11-9-19-21(25-22-8-10-24-27(22)23(19)26)14-20-16(4)12-15(3)13-17(20)5/h8-13,18H,6-7,14H2,1-5H3
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| InChIKey |
STZUQSKHHQPAIP-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