General Information of the Compound
| Compound ID |
CP0898822
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| Compound Name |
6-benzyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
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| Structure |
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| Formula |
C21H22N4
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| Molecular Weight |
330.435
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| Canonical SMILES |
c1ccc(CN2CCc3c(ccnc3NCc3cccnc3)C2)cc1
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| InChI |
InChI=1S/C21H22N4/c1-2-5-17(6-3-1)15-25-12-9-20-19(16-25)8-11-23-21(20)24-14-18-7-4-10-22-13-18/h1-8,10-11,13H,9,12,14-16H2,(H,23,24)
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| InChIKey |
IKSSNKKODXNRFA-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