General Information of the Compound
| Compound ID |
CP0391586
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| Compound Name |
1-(4-Chloro-2-methyl-benzyl)-7-methyl-5-(1-propyl-butyl)-1,3,4,5-tetrahydro-1,5,8-triaza-acenaphthylene
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| Structure |
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| Formula |
C25H32ClN3
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| Molecular Weight |
410.005
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| Canonical SMILES |
CCCC(CCC)N1CCc2cn(Cc3ccc(Cl)cc3C)c3nc(C)cc1c23
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| InChI |
InChI=1S/C25H32ClN3/c1-5-7-22(8-6-2)29-12-11-20-16-28(15-19-9-10-21(26)13-17(19)3)25-24(20)23(29)14-18(4)27-25/h9-10,13-14,16,22H,5-8,11-12,15H2,1-4H3
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| InChIKey |
ZGOSZSGVOJASTJ-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