General Information of the Compound
| Compound ID |
CP0502275
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| Compound Name |
5-Chloro-2-[5-(2-methoxy-1-methoxymethyl-ethyl)-7-methyl-4,5-dihydro-3H-1,5,8-triaza-acenaphthylen-1-yl]-benzonitrile
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| Structure |
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| Formula |
C22H23ClN4O2
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| Molecular Weight |
410.905
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| Canonical SMILES |
COCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
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| InChI |
InChI=1S/C22H23ClN4O2/c1-14-8-20-21-15(6-7-26(20)18(12-28-2)13-29-3)11-27(22(21)25-14)19-5-4-17(23)9-16(19)10-24/h4-5,8-9,11,18H,6-7,12-13H2,1-3H3
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| InChIKey |
KGRZFTNWJXLMEH-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