General Information of the Compound
| Compound ID |
CP0411227
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| Compound Name |
7-(benzo[d][1,3]dioxol-5-ylmethyl)-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 |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccc5OCOc5c4)CCc3c12
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| InChI |
InChI=1S/C22H26N6O2/c23-20-19-15-6-9-27(11-14-4-5-17-18(10-14)30-13-29-17)12-16(15)22(24-21(19)26-25-20)28-7-2-1-3-8-28/h4-5,10H,1-3,6-9,11-13H2,(H3,23,24,25,26)
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| InChIKey |
VUTOTCDDXSINPN-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