General Information of the Compound
| Compound ID |
CP0504251
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| Compound Name |
7-(4-Fluorobenzoyl)-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-ylamine
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| Structure |
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| Formula |
C21H23FN6O
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| Molecular Weight |
394.454
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| Canonical SMILES |
Nc1n[nH]c2nc(N3CCCCC3)c3CN(CCc3c12)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H23FN6O/c22-14-6-4-13(5-7-14)21(29)28-11-8-15-16(12-28)20(27-9-2-1-3-10-27)24-19-17(15)18(23)25-26-19/h4-7H,1-3,8-12H2,(H3,23,24,25,26)
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| InChIKey |
RTRVVHLTJHRRNU-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: PT01996, Bombesin receptor subtype-3
Protein ID: PT05288, Bombesin receptor subtype-3