General Information of the Compound
| Compound ID |
CP0404778
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| Compound Name |
1-(3-Methoxy-phenyl)-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 |
C24H31N3O
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| Molecular Weight |
377.532
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| Canonical SMILES |
CCCC(CCC)N1CCc2cn(-c3cccc(OC)c3)c3nc(C)cc1c23
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| InChI |
InChI=1S/C24H31N3O/c1-5-8-19(9-6-2)26-13-12-18-16-27(20-10-7-11-21(15-20)28-4)24-23(18)22(26)14-17(3)25-24/h7,10-11,14-16,19H,5-6,8-9,12-13H2,1-4H3
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| InChIKey |
XPPYAGFCQDXAHK-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