General Information of the Compound
| Compound ID |
CP0393930
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| Compound Name |
2-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-6-phenyl-3H-isoindol-1-one
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| Structure |
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| Formula |
C29H34N2O3
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| Molecular Weight |
458.602
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| Canonical SMILES |
COc1cc(ccc1OCCN(C(C)C)C(C)C)N1Cc2ccc(cc2C1=O)-c1ccccc1
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| InChI |
InChI=1S/C29H34N2O3/c1-20(2)30(21(3)4)15-16-34-27-14-13-25(18-28(27)33-5)31-19-24-12-11-23(17-26(24)29(31)32)22-9-7-6-8-10-22/h6-14,17-18,20-21H,15-16,19H2,1-5H3
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| InChIKey |
ICNMNEMPWXJFHE-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