General Information of the Compound
| Compound ID |
CP0376176
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| Compound Name |
(4R,5R,6R)-4-benzyl-5-hydroxy-1,3-diphenyl-6-(2-phenylethyl)-1,3-diazinan-2-one
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| Structure |
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| Formula |
C31H30N2O2
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| Molecular Weight |
462.593
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| Canonical SMILES |
O[C@@H]1[C@@H](CCc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H30N2O2/c34-30-28(22-21-24-13-5-1-6-14-24)32(26-17-9-3-10-18-26)31(35)33(27-19-11-4-12-20-27)29(30)23-25-15-7-2-8-16-25/h1-20,28-30,34H,21-23H2/t28-,29-,30-/m1/s1
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| InChIKey |
QUSNCADGZRCPKF-IDZRBWSNSA-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