General Information of the Compound
| Compound ID |
CP0435128
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| Compound Name |
7-benzyl-N-ethyl-5-(piperidin-1-yl)-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 |
C23H30N6
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| Molecular Weight |
390.535
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| Canonical SMILES |
CCNc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
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| InChI |
InChI=1S/C23H30N6/c1-2-24-21-20-18-11-14-28(15-17-9-5-3-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-4-8-13-29/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,24,25,26,27)
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| InChIKey |
UGNFIQDGTUYKNT-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