General Information of the Compound
| Compound ID |
CP0531450
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| Compound Name |
US9221831, 38
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| Structure |
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| Formula |
C43H61NO10
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| Molecular Weight |
751.958
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| Canonical SMILES |
COCCOCCOCCOCCOCCOc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1
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| InChI |
InChI=1S/C43H61NO10/c1-45-16-17-48-18-19-49-20-21-50-22-23-51-24-25-53-35-9-6-32(7-10-35)29-52-30-34-27-41-12-13-43(34,47-3)40-42(41)14-15-44(28-31-4-5-31)37(41)26-33-8-11-36(46-2)39(54-40)38(33)42/h6-11,31,34,37,40H,4-5,12-30H2,1-3H3/t34-,37-,40-,41-,42+,43-/m1/s1
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| InChIKey |
GGJVUYDHXIFIQM-XSOHJFOISA-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