General Information of the Compound
| Compound ID |
CP0416680
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| Compound Name |
(4S,8E)-4-[(1R)-2-(benzylamino)-1-hydroxyethyl]-16-methyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(17),8,14(18),15-tetraene-2,13-dione
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
Cc1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1
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| InChI |
InChI=1S/C25H31N3O4/c1-18-12-20-14-21(13-18)25(31)28-22(17-32-11-7-3-6-10-27-24(20)30)23(29)16-26-15-19-8-4-2-5-9-19/h2-5,7-9,12-14,22-23,26,29H,6,10-11,15-17H2,1H3,(H,27,30)(H,28,31)/b7-3+/t22-,23+/m0/s1
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| InChIKey |
PEFONUZATYCZEN-WFKPWQGXSA-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