General Information of the Compound
| Compound ID |
CP0483228
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| Compound Name |
3-[(4R,5R,6R)-4-benzyl-3-(3-carbamoylphenyl)-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]benzamide
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| Structure |
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| Formula |
C33H32N4O4
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| Molecular Weight |
548.643
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| Canonical SMILES |
NC(=O)c1cccc(c1)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C33H32N4O4/c34-31(39)24-13-7-15-26(20-24)36-28(18-17-22-9-3-1-4-10-22)30(38)29(19-23-11-5-2-6-12-23)37(33(36)41)27-16-8-14-25(21-27)32(35)40/h1-16,20-21,28-30,38H,17-19H2,(H2,34,39)(H2,35,40)/t28-,29-,30-/m1/s1
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| InChIKey |
LUOOIXNNRYGGEB-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