General Information of the Compound
| Compound ID |
CP0520923
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| Compound Name |
2-[(2Z)-2-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]propylidene]-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]acetic acid
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C30H34N4O4/c1-31-27(20-28(35)32(2)30(31)38)34-16-14-33(15-17-34)13-5-8-25-24-7-4-3-6-22(24)11-12-23-10-9-21(18-26(23)25)19-29(36)37/h3-4,6-10,18,20H,5,11-17,19H2,1-2H3,(H,36,37)/b25-8-
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| InChIKey |
WNMOZKUIGRNEMN-JAHAZDFLSA-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