General Information of the Compound
| Compound ID |
CP0548312
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| Compound Name |
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,5-triol
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| Structure |
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| Formula |
C27H48O3
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| Molecular Weight |
420.678
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| Canonical SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-16-27(30)24(29)23(28)13-15-26(27,5)22(19)12-14-25(20,21)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,24+,25-,26-,27-/m1/s1
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| InChIKey |
UAGLKJAPRSHHAX-ZFALSOKSSA-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