General Information of the Compound
| Compound ID |
CP0401165
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| Compound Name |
(11S,13S,15S)-13-(3,5-dimethoxyphenyl)-16,16-dimethyl-13-propyl-12,14,17-trioxa-8-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6-tetraen-9-one
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| Structure |
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| Formula |
C26H29NO6
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| Molecular Weight |
451.519
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| Canonical SMILES |
CCC[C@@]1(O[C@@H]2[C@H](O1)C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)cc(OC)c1
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| InChI |
InChI=1S/C26H29NO6/c1-6-11-26(15-12-16(29-4)14-17(13-15)30-5)32-22-20-21(31-25(2,3)23(22)33-26)18-9-7-8-10-19(18)27-24(20)28/h7-10,12-14,22-23H,6,11H2,1-5H3,(H,27,28)/t22-,23-,26-/m0/s1
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| InChIKey |
APQAPENYIFICGY-FXSPECFOSA-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