General Information of the Compound
| Compound ID |
CP0514959
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| Compound Name |
methyl 1-[5-(1,3-dihydroisoindole-2-carbonyl)-2,4-dihydroxyphenyl]indole-4-carboxylate
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| Structure |
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| Formula |
C25H20N2O5
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| Molecular Weight |
428.444
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| Canonical SMILES |
COC(=O)c1cccc2n(ccc12)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
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| InChI |
InChI=1S/C25H20N2O5/c1-32-25(31)18-7-4-8-20-17(18)9-10-27(20)21-11-19(22(28)12-23(21)29)24(30)26-13-15-5-2-3-6-16(15)14-26/h2-12,28-29H,13-14H2,1H3
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| InChIKey |
OJJIOCOOWBVNAV-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