General Information of the Compound
| Compound ID |
CP0519163
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| Compound Name |
3-[[4-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonyloxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C26H34N2O5
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| Molecular Weight |
454.567
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| Canonical SMILES |
OC(=O)C1CCCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
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| InChI |
InChI=1S/C26H34N2O5/c29-25(30)20-6-3-5-19(15-20)16-27-12-9-18(10-13-27)17-33-26(31)23-21-7-1-2-8-22(21)28-11-4-14-32-24(23)28/h1-2,7-8,18-20H,3-6,9-17H2,(H,29,30)
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| InChIKey |
OSFQBYIRERQOSH-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