General Information of the Compound
| Compound ID |
CP0435491
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| Compound Name |
5-Chloro-2-[7-methyl-5-(1-propyl-butyl)-4,5-dihydro-3H-1,5,8-triaza-acenaphthylen-1-yl]-benzonitrile
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| Structure |
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| Formula |
C24H27ClN4
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| Molecular Weight |
406.961
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| Canonical SMILES |
CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
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| InChI |
InChI=1S/C24H27ClN4/c1-4-6-20(7-5-2)28-11-10-17-15-29(21-9-8-19(25)13-18(21)14-26)24-23(17)22(28)12-16(3)27-24/h8-9,12-13,15,20H,4-7,10-11H2,1-3H3
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| InChIKey |
DPSFPAPTSNUCQQ-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