General Information of the Compound
| Compound ID |
CP0479076
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| Compound Name |
2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propyl)-5,11-dihydrodibenzo-[b,e][1,4]oxazepin-7-yl)-2-methylpropanoic acid
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| Structure |
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| Formula |
C31H39N5O5
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| Molecular Weight |
561.683
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(C)(C)C(O)=O)CC1
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| InChI |
InChI=1S/C31H39N5O5/c1-31(2,29(38)39)23-11-12-26-25(19-23)36(24-10-6-5-9-22(24)21-41-26)16-8-14-34-13-7-15-35(18-17-34)27-20-28(37)33(4)30(40)32(27)3/h5-6,9-12,19-20H,7-8,13-18,21H2,1-4H3,(H,38,39)
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| InChIKey |
XURYOEGYBXTQTO-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