General Information of the Compound
| Compound ID |
CP0499910
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| Compound Name |
2-[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 |
CC(C(O)=O)n1c(C)c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C27H23N3O3/c1-17-24(22-14-8-9-15-23(22)30(17)18(2)27(32)33)25-20-12-6-7-13-21(20)26(31)29(28-25)16-19-10-4-3-5-11-19/h3-15,18H,16H2,1-2H3,(H,32,33)
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| InChIKey |
WNFCPRXLLMTDPX-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