General Information of the Compound
| Compound ID |
CP0481600
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| Compound Name |
2-[3-[(3-benzyl-4-oxophthalazin-1-yl)methyl]-5-chloro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H22ClN3O3
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| Molecular Weight |
471.944
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| Canonical SMILES |
Cc1c(Cc2nn(Cc3ccccc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C27H22ClN3O3/c1-17-22(23-13-19(28)11-12-25(23)30(17)16-26(32)33)14-24-20-9-5-6-10-21(20)27(34)31(29-24)15-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,32,33)
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| InChIKey |
VJLJFFFALNWDKB-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