General Information of the Compound
| Compound ID |
CP0444131
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| Compound Name |
N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pent-4-ynyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
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| Formula |
C31H21N3O8
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| Molecular Weight |
563.522
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| Canonical SMILES |
O=C(NCCCC#Cc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1cc2c(o1)C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C31H21N3O8/c35-23-13-12-21(28(38)33-23)34-30(40)19-11-6-8-16(24(19)31(34)41)7-2-1-5-14-32-29(39)22-15-20-25(36)17-9-3-4-10-18(17)26(37)27(20)42-22/h3-4,6,8-11,15,21H,1,5,12-14H2,(H,32,39)(H,33,35,38)
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| InChIKey |
KSMIEGCVBFRHBQ-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