General Information of the Compound
| Compound ID |
CP0485688
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| Compound Name |
2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl)-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Synonyms |
NBI-34041
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| Structure |
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| Formula |
C22H26Cl2N4
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| Molecular Weight |
417.384
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| Canonical SMILES |
CCCC(CCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
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| InChI |
InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
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| InChIKey |
AKLMUGFDGONMAA-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
Clinical Information about the Compound