General Information of the Compound
| Compound ID |
CP0434963
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| Compound Name |
(2E)-2-[(1R,4aS,4bR,7S,8S,8aS,10R,10aS)-7,10-dihydroxy-1,4b,8-trimethyl-9-oxo-3,4,4a,5,6,7,8,8a,10,10a-decahydro-1H-phenanthren-2-ylidene]acetic acid
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| Structure |
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| Formula |
C19H28O5
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| Molecular Weight |
336.428
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| Canonical SMILES |
C[C@@H]1[C@@H](O)CC[C@]2(C)[C@H]3CC\C(=C/C(O)=O)[C@H](C)[C@@H]3[C@@H](O)C(=O)[C@@H]12
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| InChI |
InChI=1S/C19H28O5/c1-9-11(8-14(21)22)4-5-12-15(9)17(23)18(24)16-10(2)13(20)6-7-19(12,16)3/h8-10,12-13,15-17,20,23H,4-7H2,1-3H3,(H,21,22)/b11-8+/t9-,10+,12-,13-,15-,16+,17+,19+/m0/s1
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| InChIKey |
YUOAAEKOGSLIOE-XIYXGMEGSA-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