General Information of the Compound
| Compound ID |
CP0546239
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| Compound Name |
N-[2-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-1-yl]ethyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
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| Formula |
C38H39N5O8
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| Molecular Weight |
693.757
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| Canonical SMILES |
O=C(NCCN1CCC(CCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C38H39N5O8/c44-30-13-12-28(35(47)41-30)43-37(49)25-10-6-11-27(31(25)38(43)50)39-16-5-1-2-7-22-14-18-42(19-15-22)20-17-40-36(48)29-21-26-32(45)23-8-3-4-9-24(23)33(46)34(26)51-29/h3-4,6,8-11,21-22,28,39H,1-2,5,7,12-20H2,(H,40,48)(H,41,44,47)
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| InChIKey |
ZGTJQXJWPMFFEO-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