General Information of the Compound
| Compound ID |
CP0385802
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| Compound Name |
[(1S,2S,5S,6R,7R,9S,10S,18R)-5-acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] naphthalene-2-carboxylate
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| Structure |
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| Formula |
C40H41NO10
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| Molecular Weight |
695.765
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| Canonical SMILES |
CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc3ccccc3c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
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| InChI |
InChI=1S/C40H41NO10/c1-22(42)47-21-39(4)30-19-32(50-36(45)26-13-12-24-9-6-7-10-25(24)17-26)40(5)35(38(30,3)15-14-31(39)48-23(2)43)34(44)33-29(51-40)18-28(49-37(33)46)27-11-8-16-41-20-27/h6-13,16-18,20,30-32,34-35,44H,14-15,19,21H2,1-5H3/t30-,31+,32+,34+,35-,38+,39+,40-/m1/s1
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| InChIKey |
JBVAWWIORQPHCU-ZGSMWJSFSA-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
Protein ID: PT01327, Sterol O-acyltransferase 1
Protein ID: PT02407, Sterol O-acyltransferase 2