General Information of the Compound
| Compound ID |
CP0849181
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| Compound Name |
(R)-8-(Chroman-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrogenoxalate hemihydrate
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| Structure |
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| Formula |
C24H29N3O7
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| Molecular Weight |
471.51
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| Canonical SMILES |
O.O=C(O)C(=O)O.O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCOc3ccccc31)CC2
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| InChI |
InChI=1S/C22H25N3O2.C2H2O4.H2O/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)11-13-24(14-12-22)19-10-15-27-20-9-5-4-8-18(19)20;3-1(4)2(5)6;/h1-9,19H,10-16H2,(H,23,26);(H,3,4)(H,5,6);1H2/t19-;;/m1../s1
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| InChIKey |
IXJJKUIQYYZTHO-JQDLGSOUSA-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