General Information of the Compound
| Compound ID |
CP0404856
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| Compound Name |
5-[(4R,5R,6R)-4-benzyl-3-(3-carbamoyl-4-fluorophenyl)-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]-2-fluorobenzamide
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| Structure |
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| Formula |
C33H30F2N4O4
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| Molecular Weight |
584.623
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| Canonical SMILES |
NC(=O)c1cc(ccc1F)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(F)c(c1)C(N)=O
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| InChI |
InChI=1S/C33H30F2N4O4/c34-26-14-12-22(18-24(26)31(36)41)38-28(16-11-20-7-3-1-4-8-20)30(40)29(17-21-9-5-2-6-10-21)39(33(38)43)23-13-15-27(35)25(19-23)32(37)42/h1-10,12-15,18-19,28-30,40H,11,16-17H2,(H2,36,41)(H2,37,42)/t28-,29-,30-/m1/s1
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| InChIKey |
XQYSWWNJOBGMMX-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