General Information of the Compound
| Compound ID |
CP0373810
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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)-2-methylpropanamide
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| Structure |
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| Formula |
C25H32N6O
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| Molecular Weight |
432.572
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| Canonical SMILES |
CC(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
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| InChI |
InChI=1S/C25H32N6O/c1-17(2)25(32)27-23-21-19-11-14-30(15-18-9-5-3-6-10-18)16-20(19)24(26-22(21)28-29-23)31-12-7-4-8-13-31/h3,5-6,9-10,17H,4,7-8,11-16H2,1-2H3,(H2,26,27,28,29,32)
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| InChIKey |
VJNYSWSPGHRGJX-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