General Information of the Compound
| Compound ID |
CP0441709
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| Compound Name |
2-[5-chloro-3-[3-[2-(4-chlorophenoxy)ethyl]-4-oxophthalazin-1-yl]-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H21Cl2N3O4
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| Molecular Weight |
522.388
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| Canonical SMILES |
Cc1c(-c2nn(CCOc3ccc(Cl)cc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C27H21Cl2N3O4/c1-16-25(22-14-18(29)8-11-23(22)31(16)15-24(33)34)26-20-4-2-3-5-21(20)27(35)32(30-26)12-13-36-19-9-6-17(28)7-10-19/h2-11,14H,12-13,15H2,1H3,(H,33,34)
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| InChIKey |
JWMGFDIZFPPEGE-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