General Information of the Compound
| Compound ID |
CP0479067
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| Compound Name |
(E)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)propylidene)-6,11-dihydrodibenzo[b,e]-oxepin-2-yl)acetic acid
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| Structure |
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| Formula |
C29H32N4O5
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| Molecular Weight |
516.598
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2/c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C29H32N4O5/c1-30-26(18-27(34)31(2)29(30)37)33-14-12-32(13-15-33)11-5-8-23-22-7-4-3-6-21(22)19-38-25-10-9-20(16-24(23)25)17-28(35)36/h3-4,6-10,16,18H,5,11-15,17,19H2,1-2H3,(H,35,36)/b23-8+
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| InChIKey |
NIKHLOHBEKSSNM-LIMNOBDPSA-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