General Information of the Compound
| Compound ID |
CP0408110
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| Compound Name |
methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-11-phenyl-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 |
C37H50O3
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| Molecular Weight |
542.804
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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(C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)c1ccccc1
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| InChI |
InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1
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| InChIKey |
XJEKNPKKMJHHNM-CZBYLUSZSA-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