General Information of the Compound
| Compound ID |
CP0579934
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| Compound Name |
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol
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| Structure |
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| Formula |
C29H50O3
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| Molecular Weight |
446.716
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| Canonical SMILES |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C29H50O3/c1-18(9-8-14-26(2,3)32)19-10-11-20-25-21(12-15-28(19,20)6)29(7)16-13-24(31)27(4,5)23(29)17-22(25)30/h17-22,24-25,30-32H,8-16H2,1-7H3/t18-,19-,20+,21+,22+,24+,25+,28-,29-/m1/s1
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| InChIKey |
UXYVPJVVEVRCNQ-HQSTUDPASA-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