General Information of the Compound
| Compound ID |
CP0554958
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| Compound Name |
[5-(5-bromoindol-1-yl)-2,4-dihydroxyphenyl]-(1,3-dihydroisoindol-2-yl)methanone
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| Structure |
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| Formula |
C23H17BrN2O3
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| Molecular Weight |
449.304
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| Canonical SMILES |
Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2cc(Br)ccc12
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| InChI |
InChI=1S/C23H17BrN2O3/c24-17-5-6-19-14(9-17)7-8-26(19)20-10-18(21(27)11-22(20)28)23(29)25-12-15-3-1-2-4-16(15)13-25/h1-11,27-28H,12-13H2
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| InChIKey |
OSCAYXJQHIGJHI-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