General Information of the Compound
| Compound ID |
CP0396931
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| Compound Name |
1-[(2R,3S,6S,10S,11S)-10-hydroxy-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)-trien-5-yl]ethanone
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| Structure |
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| Formula |
C33H34N2O8
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| Molecular Weight |
586.641
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| Canonical SMILES |
COc1cc(C[C@H]2CN3C[C@@]4(O)[C@@H]([C@H]3CN2C(C)=O)c2cc3OCOc3c(OC)c2[C@@H]4c2ccccc2)cc2OCOc12
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| InChI |
InChI=1S/C33H34N2O8/c1-18(36)35-14-23-29-22-12-26-31(43-17-41-26)32(39-3)27(22)28(20-7-5-4-6-8-20)33(29,37)15-34(23)13-21(35)9-19-10-24(38-2)30-25(11-19)40-16-42-30/h4-8,10-12,21,23,28-29,37H,9,13-17H2,1-3H3/t21-,23+,28-,29+,33-/m0/s1
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| InChIKey |
AWGYFEUBGYGPIC-XYFQLPCYSA-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