General Information of the Compound
| Compound ID |
CP0391001
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| Compound Name |
7-benzyl-N5-isopropyl-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 |
C19H24N6
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| Molecular Weight |
336.443
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| Canonical SMILES |
CC(C)Nc1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
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| InChI |
InChI=1S/C19H24N6/c1-12(2)21-18-15-11-25(10-13-6-4-3-5-7-13)9-8-14(15)16-17(20)23-24-19(16)22-18/h3-7,12H,8-11H2,1-2H3,(H4,20,21,22,23,24)
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| InChIKey |
HRFFYPNVGHVTPQ-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