General Information of the Compound
| Compound ID |
CP0373050
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| Compound Name |
5-(piperidin-1-yl)-7-(3-(trifluoromethyl)benzyl)-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 |
C22H25F3N6
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| Molecular Weight |
430.478
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| Canonical SMILES |
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4cccc(c4)C(F)(F)F)CCc3c12
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| InChI |
InChI=1S/C22H25F3N6/c23-22(24,25)15-6-4-5-14(11-15)12-30-10-7-16-17(13-30)21(31-8-2-1-3-9-31)27-20-18(16)19(26)28-29-20/h4-6,11H,1-3,7-10,12-13H2,(H3,26,27,28,29)
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| InChIKey |
MCTOAQPVGVJEQA-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