General Information of the Compound
| Compound ID |
CP0406571
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| Compound Name |
3-[3-(3-benzyl-4-oxophthalazin-1-yl)-2-methylindol-1-yl]propanoic acid
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| Structure |
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| Formula |
C27H23N3O3
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| Molecular Weight |
437.499
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| Canonical SMILES |
Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CCC(O)=O
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| InChI |
InChI=1S/C27H23N3O3/c1-18-25(22-13-7-8-14-23(22)29(18)16-15-24(31)32)26-20-11-5-6-12-21(20)27(33)30(28-26)17-19-9-3-2-4-10-19/h2-14H,15-17H2,1H3,(H,31,32)
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| InChIKey |
ARWHFKVLYOLLCT-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