General Information of the Compound
| Compound ID |
CP0441844
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| Compound Name |
5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)propyl)-5,11-dihydrodibenzo[b,e][1,4]oxazepine-7-carboxylicacid
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| Structure |
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| Formula |
C27H31N5O5
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| Molecular Weight |
505.575
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
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| InChI |
InChI=1S/C27H31N5O5/c1-28-24(17-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-21-7-4-3-6-20(21)18-37-23-9-8-19(26(34)35)16-22(23)32/h3-4,6-9,16-17H,5,10-15,18H2,1-2H3,(H,34,35)
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| InChIKey |
FEHNLVPCVHLEHQ-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