General Information of the Compound
| Compound ID |
CP0524935
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| Compound Name |
2-[3-(3-benzyl-4-oxophthalazin-1-yl)-2-methylindol-1-yl]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
CN(C)C(=O)Cn1c(C)c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C28H26N4O2/c1-19-26(23-15-9-10-16-24(23)31(19)18-25(33)30(2)3)27-21-13-7-8-14-22(21)28(34)32(29-27)17-20-11-5-4-6-12-20/h4-16H,17-18H2,1-3H3
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| InChIKey |
IWXHWANPQXIDBS-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