General Information of the Compound
| Compound ID |
CP0501440
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| Compound Name |
2-[(2Z)-2-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,4-diazepan-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 |
C31H36N4O4
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| Molecular Weight |
528.653
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C31H36N4O4/c1-32-28(21-29(36)33(2)31(32)39)35-16-6-15-34(17-18-35)14-5-9-26-25-8-4-3-7-23(25)12-13-24-11-10-22(19-27(24)26)20-30(37)38/h3-4,7-11,19,21H,5-6,12-18,20H2,1-2H3,(H,37,38)/b26-9-
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| InChIKey |
QUPFMAXRMLKPQC-WMDMUMDLSA-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