General Information of the Compound
| Compound ID |
CP0409240
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| Compound Name |
3-[(4R,5R,6R)-4-benzyl-3-(3-cyanophenyl)-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]benzonitrile
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| Structure |
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| Formula |
C33H28N4O2
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| Molecular Weight |
512.613
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| Canonical SMILES |
O[C@@H]1[C@@H](CCc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)c1cccc(c1)C#N)c1cccc(c1)C#N
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| InChI |
InChI=1S/C33H28N4O2/c34-22-26-13-7-15-28(19-26)36-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)37(33(36)39)29-16-8-14-27(20-29)23-35/h1-16,19-20,30-32,38H,17-18,21H2/t30-,31-,32-/m1/s1
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| InChIKey |
ZSYFMZFQABBDSM-XWHIBYANSA-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