General Information of the Compound
| Compound ID |
CP0373809
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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)-2,2-dimethylbutanamide
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| Structure |
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| Formula |
C27H36N6O
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| Molecular Weight |
460.626
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| Canonical SMILES |
CCC(C)(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
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| InChI |
InChI=1S/C27H36N6O/c1-4-27(2,3)26(34)29-24-22-20-13-16-32(17-19-11-7-5-8-12-19)18-21(20)25(28-23(22)30-31-24)33-14-9-6-10-15-33/h5,7-8,11-12H,4,6,9-10,13-18H2,1-3H3,(H2,28,29,30,31,34)
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| InChIKey |
QQXDCLSUQHUKKQ-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