General Information of the Compound
| Compound ID |
CP0542875
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| Compound Name |
(2R,3S,6S,10R,11S)-13-methoxy-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-triene
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| Structure |
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| Formula |
C31H32N2O6
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| Molecular Weight |
528.605
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| Canonical SMILES |
COc1cc(C[C@H]2CN3C[C@H]4[C@@H]([C@H]3CN2)c2cc3OCOc3c(OC)c2[C@@H]4c2ccccc2)cc2OCOc12
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| InChI |
InChI=1S/C31H32N2O6/c1-34-23-9-17(10-24-29(23)38-15-36-24)8-19-13-33-14-21-26(18-6-4-3-5-7-18)28-20(27(21)22(33)12-32-19)11-25-30(31(28)35-2)39-16-37-25/h3-7,9-11,19,21-22,26-27,32H,8,12-16H2,1-2H3/t19-,21+,22+,26+,27-/m0/s1
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| InChIKey |
WQECFXZCKUFACM-FERBAXHVSA-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