General Information of the Compound
| Compound ID |
CP0415855
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| Compound Name |
[(11R,12S,13R,14R)-15,15-dimethyl-9-oxo-12-(3,4,5-trimethoxyphenyl)-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-13-yl]methyl acetate
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| Structure |
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| Formula |
C28H31NO7
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| Molecular Weight |
493.556
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@@H](COC(C)=O)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C28H31NO7/c1-14(30)35-13-17-21(15-11-19(32-4)26(34-6)20(12-15)33-5)22-23-25(36-28(2,3)24(17)22)16-9-7-8-10-18(16)29-27(23)31/h7-12,17,21-22,24H,13H2,1-6H3,(H,29,31)/t17-,21-,22+,24+/m1/s1
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| InChIKey |
AJTWXAHCGANVKW-INYSMAPRSA-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