General Information of the Compound
| Compound ID |
CP0388823
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| Compound Name |
2-benzyl-4-[2-methyl-1-(2H-tetrazol-5-yl)indol-3-yl]phthalazin-1-one
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| Structure |
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| Formula |
C25H19N7O
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| Molecular Weight |
433.475
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| Canonical SMILES |
Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1-c1nnn[nH]1
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| InChI |
InChI=1S/C25H19N7O/c1-16-22(20-13-7-8-14-21(20)32(16)25-26-29-30-27-25)23-18-11-5-6-12-19(18)24(33)31(28-23)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,26,27,29,30)
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| InChIKey |
PKLKEFVLJVXDEP-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