General Information of the Compound
| Compound ID |
CP0396811
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| Compound Name |
(11R,12R,13R,14S)-15,15-dimethyl-13-propan-2-yl-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 |
C28H33NO5
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| Molecular Weight |
463.574
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@@H](C(C)C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C28H33NO5/c1-14(2)20-21(15-12-18(31-5)26(33-7)19(13-15)32-6)22-23-25(34-28(3,4)24(20)22)16-10-8-9-11-17(16)29-27(23)30/h8-14,20-22,24H,1-7H3,(H,29,30)/t20-,21-,22+,24+/m1/s1
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| InChIKey |
XJOKZFREXUVZMO-SVPADUAOSA-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