General Information of the Compound
| Compound ID |
CP0533953
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| Compound Name |
[(1R)-2-hydroxy-1-[(1S,2R,4S,6S,8R,11R,13S,14R,19R)-11-hydroxy-1,2,8,14,18,18-hexamethyl-17-oxo-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-6-yl]-2-methylpropyl] acetate
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| Structure |
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| Formula |
C32H50O6
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| Molecular Weight |
530.746
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| Canonical SMILES |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C([C@H](O)C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](OC(C)=O)C(C)(C)O
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| InChI |
InChI=1S/C32H50O6/c1-17-14-20(27(29(5,6)36)37-18(2)33)38-21-16-32(9)26(25(17)21)19(34)15-23-30(7)12-11-24(35)28(3,4)22(30)10-13-31(23,32)8/h17,19-23,27,34,36H,10-16H2,1-9H3/t17-,19-,20+,21+,22+,23+,27-,30+,31+,32+/m1/s1
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| InChIKey |
NILGDURLWXORBA-FSMXUXCPSA-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