General Information of the Compound
| Compound ID |
CP0488472
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| Compound Name |
(11R,12R,13R,14S)-13,15-dimethyl-12-(3,4,5-trimethoxyphenyl)-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
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| Structure |
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| Formula |
C25H27NO5
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| Molecular Weight |
421.493
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@@H](C)[C@H]2[C@@H]1c1c(OC2C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C25H27NO5/c1-12-19-13(2)31-23-15-8-6-7-9-16(15)26-25(27)22(23)21(19)20(12)14-10-17(28-3)24(30-5)18(11-14)29-4/h6-13,19-21H,1-5H3,(H,26,27)/t12-,13?,19+,20-,21-/m0/s1
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| InChIKey |
XSQTWHNZXOUNIA-FJHVFYIKSA-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