General Information of the Compound
| Compound ID |
CP0407113
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| Compound Name |
N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C27H34N6O
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| Molecular Weight |
458.61
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| Canonical SMILES |
O=C(Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12)C1CCCC1
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| InChI |
InChI=1S/C27H34N6O/c34-27(20-11-5-6-12-20)29-25-23-21-13-16-32(17-19-9-3-1-4-10-19)18-22(21)26(28-24(23)30-31-25)33-14-7-2-8-15-33/h1,3-4,9-10,20H,2,5-8,11-18H2,(H2,28,29,30,31,34)
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| InChIKey |
LHBIEQDJQZBDIU-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