General Information of the Compound
| Compound ID |
CP0411769
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| Compound Name |
N-[[1-(2-diethoxyphosphorylethyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
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| Structure |
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| Formula |
C24H36N3O5P
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| Molecular Weight |
477.542
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| Canonical SMILES |
CCOP(=O)(CCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1)OCC
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| InChI |
InChI=1S/C24H36N3O5P/c1-3-31-33(29,32-4-2)17-15-26-13-10-19(11-14-26)18-25-23(28)22-20-8-5-6-9-21(20)27-12-7-16-30-24(22)27/h5-6,8-9,19H,3-4,7,10-18H2,1-2H3,(H,25,28)
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| InChIKey |
GQKWQUQBKKKLMN-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