General Information of the Compound
| Compound ID |
CP0435492
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| Compound Name |
5-Chloro-2-[5-(1-methoxymethyl-propyl)-7-methyl-4,5-dihydro-3H-1,5,8-triaza-acenaphthylen-1-yl]-benzonitrile
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| Structure |
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| Formula |
C22H23ClN4O
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| Molecular Weight |
394.906
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| Canonical SMILES |
CCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
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| InChI |
InChI=1S/C22H23ClN4O/c1-4-18(13-28-3)26-8-7-15-12-27(19-6-5-17(23)10-16(19)11-24)22-21(15)20(26)9-14(2)25-22/h5-6,9-10,12,18H,4,7-8,13H2,1-3H3
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| InChIKey |
WVEIWUCAVNCPIV-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