General Information of the Compound
| Compound ID |
CP0528668
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| Compound Name |
(2R,3S,6S,10R,11S)-6-benzyl-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one
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| Structure |
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| Formula |
C29H28N2O4
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| Molecular Weight |
468.553
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| Canonical SMILES |
COc1c2OCOc2cc2[C@@H]3[C@H]4CN[C@@H](Cc5ccccc5)CN4C(=O)[C@@H]3[C@H](c12)c1ccccc1
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| InChI |
InChI=1S/C29H28N2O4/c1-33-28-25-20(13-22-27(28)35-16-34-22)24-21-14-30-19(12-17-8-4-2-5-9-17)15-31(21)29(32)26(24)23(25)18-10-6-3-7-11-18/h2-11,13,19,21,23-24,26,30H,12,14-16H2,1H3/t19-,21+,23-,24+,26+/m0/s1
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| InChIKey |
ZTZYEKPSSYGCJU-MVZYNSITSA-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