General Information of the Compound
| Compound ID |
CP0435092
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| Compound Name |
(2'R,8R,9S,13S,14S)-3-hydroxy-4',13-dimethyl-4',5',6,7,8,9,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-6'(3'H)-one
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| Structure |
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| Formula |
C23H30O3
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| Molecular Weight |
354.49
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| Canonical SMILES |
CC1CC(=O)O[C@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)C1
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| InChI |
InChI=1S/C23H30O3/c1-14-11-21(25)26-23(13-14)10-8-20-19-5-3-15-12-16(24)4-6-17(15)18(19)7-9-22(20,23)2/h4,6,12,14,18-20,24H,3,5,7-11,13H2,1-2H3/t14?,18-,19-,20+,22+,23-/m1/s1
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| InChIKey |
JXXDUTXBMVLCBL-ZEBUZJRHSA-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