General Information of the Compound
| Compound ID |
CP0417666
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| Compound Name |
5-(azepan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
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| Structure |
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| Formula |
C22H28N6
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| Molecular Weight |
376.508
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| Canonical SMILES |
Nc1n[nH]c2nc(N3CCCCCC3)c3CN(Cc4ccccc4)CCc3c12
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| InChI |
InChI=1S/C22H28N6/c23-20-19-17-10-13-27(14-16-8-4-3-5-9-16)15-18(17)22(24-21(19)26-25-20)28-11-6-1-2-7-12-28/h3-5,8-9H,1-2,6-7,10-15H2,(H3,23,24,25,26)
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| InChIKey |
XHISSIJKGVHSNQ-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
Protein ID: PT05288, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3