General Information of the Compound
| Compound ID |
CP0493503
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| Compound Name |
(4bS,6aS,6bS,11aS,12aS,12bR)-2-Hydroxy-6a-methyl-4b,5,6,6a,6b,9,10,11,11a,12,12a,12b,13,14-tetradecahydro-7-oxa-azuleno[2,1-a]phenanthren-8-one
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| Structure |
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| Formula |
C22H28O3
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| Molecular Weight |
340.463
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H]1CCCC(=O)O[C@H]21
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| InChI |
InChI=1S/C22H28O3/c1-22-10-9-17-16-8-6-15(23)11-13(16)5-7-18(17)19(22)12-14-3-2-4-20(24)25-21(14)22/h6,8,11,14,17-19,21,23H,2-5,7,9-10,12H2,1H3/t14-,17+,18+,19-,21-,22-/m0/s1
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| InChIKey |
CUBJBNIDFCEHJC-IZSGYEDXSA-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