General Information of the Compound
| Compound ID |
CP0373053
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| Compound Name |
7-benzyl-N5-phenyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
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| Structure |
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| Formula |
C22H22N6
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| Molecular Weight |
370.46
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| Canonical SMILES |
Nc1n[nH]c2nc(Nc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
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| InChI |
InChI=1S/C22H22N6/c23-20-19-17-11-12-28(13-15-7-3-1-4-8-15)14-18(17)21(25-22(19)27-26-20)24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,23,24,25,26,27)
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| InChIKey |
QTEUXOQHRNHJMW-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