General Information of the Compound
| Compound ID |
CP0514174
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| Compound Name |
(4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis[3-(hydroxymethyl)phenyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
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| Structure |
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| Formula |
C33H34N2O4
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| Molecular Weight |
522.645
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| Canonical SMILES |
OCc1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(CO)c1
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| InChI |
InChI=1S/C33H34N2O4/c36-22-26-13-7-15-28(19-26)34-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)35(33(34)39)29-16-8-14-27(20-29)23-37/h1-16,19-20,30-32,36-38H,17-18,21-23H2/t30-,31-,32-/m1/s1
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| InChIKey |
FBACKGQAIDXNSL-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