General Information of the Compound
| Compound ID |
CP0506571
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| Compound Name |
2-(5-Butyl-7-methyl-4,5-dihydro-3H-1,5,8-triaza-acenaphthylen-1-yl)-5-chloro-benzonitrile
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| Structure |
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| Formula |
C21H21ClN4
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| Molecular Weight |
364.88
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| Canonical SMILES |
CCCCN1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
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| InChI |
InChI=1S/C21H21ClN4/c1-3-4-8-25-9-7-15-13-26(18-6-5-17(22)11-16(18)12-23)21-20(15)19(25)10-14(2)24-21/h5-6,10-11,13H,3-4,7-9H2,1-2H3
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| InChIKey |
SMUUXXZUMHWSII-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