General Information of the Compound
| Compound ID |
CP0542871
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| Compound Name |
(2R,3S,6S,10R,11S)-5-acetyl-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-9-one
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| Structure |
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| Formula |
C33H32N2O8
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| Molecular Weight |
584.625
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| Canonical SMILES |
COc1cc(C[C@H]2CN3[C@H](CN2C(C)=O)[C@@H]2[C@@H]([C@H](c4c2cc2OCOc2c4OC)c2ccccc2)C3=O)cc2OCOc12
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| InChI |
InChI=1S/C33H32N2O8/c1-17(36)34-14-22-27-21-12-25-31(43-16-41-25)32(39-3)28(21)26(19-7-5-4-6-8-19)29(27)33(37)35(22)13-20(34)9-18-10-23(38-2)30-24(11-18)40-15-42-30/h4-8,10-12,20,22,26-27,29H,9,13-16H2,1-3H3/t20-,22+,26-,27+,29+/m0/s1
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| InChIKey |
BYKOTIQEKORHBL-ORFWNXNQSA-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