General Information of the Compound
| Compound ID |
CP0449401
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| Compound Name |
(4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis[3-(methylamino)phenyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
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| Structure |
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| Formula |
C33H36N4O2
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| Molecular Weight |
520.677
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| Canonical SMILES |
CNc1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(NC)c1
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| InChI |
InChI=1S/C33H36N4O2/c1-34-26-15-9-17-28(22-26)36-30(20-19-24-11-5-3-6-12-24)32(38)31(21-25-13-7-4-8-14-25)37(33(36)39)29-18-10-16-27(23-29)35-2/h3-18,22-23,30-32,34-35,38H,19-21H2,1-2H3/t30-,31-,32-/m1/s1
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| InChIKey |
ADJAFFUBCICGDS-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