General Information of the Compound
| Compound ID |
CP0391589
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| Compound Name |
1-(4-Chloro-2,6-dimethyl-phenyl)-5-(1-methoxymethyl-propyl)-7-methyl-1,3,4,5-tetrahydro-1,5,8-triaza-acenaphthylene
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| Structure |
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| Formula |
C23H28ClN3O
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| Molecular Weight |
397.95
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| Canonical SMILES |
CCC(COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3nc(C)cc1c23
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| InChI |
InChI=1S/C23H28ClN3O/c1-6-19(13-28-5)26-8-7-17-12-27(22-14(2)9-18(24)10-15(22)3)23-21(17)20(26)11-16(4)25-23/h9-12,19H,6-8,13H2,1-5H3
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| InChIKey |
UFBHNIOBWFUORC-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