General Information of the Compound
| Compound ID |
CP0436671
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| Compound Name |
2-(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]oxazepin-7-yl)acetic acid
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| Structure |
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| Formula |
C28H33N5O5
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| Molecular Weight |
519.602
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C28H33N5O5/c1-29-25(18-26(34)30(2)28(29)37)32-14-12-31(13-15-32)10-5-11-33-22-7-4-3-6-21(22)19-38-24-9-8-20(16-23(24)33)17-27(35)36/h3-4,6-9,16,18H,5,10-15,17,19H2,1-2H3,(H,35,36)
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| InChIKey |
GUYGSIXDIXLGLA-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