General Information of the Compound
| Compound ID |
CP0502537
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| Compound Name |
(4R,5R,6R)-1,3-bis(3-aminophenyl)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
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| Structure |
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| Formula |
C31H32N4O2
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| Molecular Weight |
492.623
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| Canonical SMILES |
Nc1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(N)c1
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| InChI |
InChI=1S/C31H32N4O2/c32-24-13-7-15-26(20-24)34-28(18-17-22-9-3-1-4-10-22)30(36)29(19-23-11-5-2-6-12-23)35(31(34)37)27-16-8-14-25(33)21-27/h1-16,20-21,28-30,36H,17-19,32-33H2/t28-,29-,30-/m1/s1
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| InChIKey |
XJGRVKTYVLYWKE-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