General Information of the Compound
| Compound ID |
CP0413137
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide
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| Structure |
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| Formula |
C28H36N4O6S
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| Molecular Weight |
556.685
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(C)(=O)=O)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C28H36N4O6S/c1-18-14-32(19(2)17-33)28(35)23-13-21(10-11-25(23)38-26(18)16-31(4)39(5,36)37)29-27(34)12-20-15-30(3)24-9-7-6-8-22(20)24/h6-11,13,15,18-19,26,33H,12,14,16-17H2,1-5H3,(H,29,34)/t18-,19-,26+/m1/s1
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| InChIKey |
VGRSZYTVZUQTAY-UDCNLSRBSA-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