General Information of the Compound
| Compound ID |
CP0173009
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| Compound Name |
(3S,10S,13S,17S)-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C19H30O3
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| Molecular Weight |
306.446
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| Canonical SMILES |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O
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| InChI |
InChI=1S/C19H30O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h2,13-17,20-22H,3-11H2,1H3/t13-,14?,15?,16?,17-,18-,19+/m0/s1
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| InChIKey |
KPTQFNUKAKVGSS-JFBBCUFTSA-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