General Information of the Compound
| Compound ID |
CP0503390
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| Compound Name |
2-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-5-phenylisoindole-1,3-dione
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| Structure |
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| Formula |
C29H32N2O4
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| Molecular Weight |
472.585
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| Canonical SMILES |
COc1cc(ccc1OCCN(C(C)C)C(C)C)N1C(=O)c2ccc(cc2C1=O)-c1ccccc1
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| InChI |
InChI=1S/C29H32N2O4/c1-19(2)30(20(3)4)15-16-35-26-14-12-23(18-27(26)34-5)31-28(32)24-13-11-22(17-25(24)29(31)33)21-9-7-6-8-10-21/h6-14,17-20H,15-16H2,1-5H3
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| InChIKey |
CKJBUKTWDMJAPK-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