General Information of the Compound
| Compound ID |
CP0392356
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| Compound Name |
(8R,9S,10R,13S,14S)-13-methyl-17-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
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| Structure |
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| Formula |
C19H24O3
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| Molecular Weight |
300.398
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)C(O)=O)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C19H24O3/c1-19-9-8-14-13-4-3-12(18(21)22)10-11(13)2-5-15(14)16(19)6-7-17(19)20/h2,10,13-16H,3-9H2,1H3,(H,21,22)/t13-,14+,15+,16-,19-/m0/s1
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| InChIKey |
FCFPLTRQOYJAKG-RGQDEETRSA-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