General Information of the Compound
| Compound ID |
CP0423107
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| Compound Name |
(2'S,8R,9S,13S,14S)-13-methyl-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 |
C22H28O2
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| Molecular Weight |
324.464
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CC[C@@]21CCCC(=O)O1
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| InChI |
InChI=1S/C22H28O2/c1-21-13-10-17-16-6-3-2-5-15(16)8-9-18(17)19(21)11-14-22(21)12-4-7-20(23)24-22/h2-3,5-6,17-19H,4,7-14H2,1H3/t17-,18-,19+,21+,22+/m1/s1
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| InChIKey |
JFEVGYBOFUOWOA-DGYCAGFBSA-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