General Information of the Compound
| Compound ID |
CP0520802
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| Compound Name |
methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-11-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-4a-carboxylate
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| Structure |
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| Formula |
C33H48O5
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| Molecular Weight |
524.742
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| Canonical SMILES |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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| InChI |
InChI=1S/C33H48O5/c1-20(34)38-23-19-30(6)24(29(4,5)26(23)35)12-13-32(8)25(30)11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,32)7/h10,19,22,24-25H,11-18H2,1-9H3/t22-,24-,25+,30-,31+,32+,33-/m0/s1
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| InChIKey |
XBMXCJIQOQYFCL-BESCZGKSSA-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