General Information of the Compound
| Compound ID |
CP0455499
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| Compound Name |
N,N-diethyl-6-methyl-9-(4-methylphenyl)-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-amine
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| Structure |
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| Formula |
C20H23N7
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| Molecular Weight |
361.453
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| Canonical SMILES |
CCN(CC)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C20H23N7/c1-5-27(6-2)20-21-11-15-17(14-9-7-12(3)8-10-14)22-16-13(4)25-26-19(16)23-18(15)24-20/h7-11H,5-6H2,1-4H3,(H2,21,23,24,25,26)
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| InChIKey |
LVJOSXIHDWKFCU-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