General Information of the Compound
| Compound ID |
CP0170614
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| Compound Name |
2-((3S,10S,13S,17S)-3,17-dihydroxy-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-yl)acetaldehyde
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| Structure |
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| Formula |
C20H30O3
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| Molecular Weight |
318.457
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| Canonical SMILES |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=O)C1CC[C@@H]2O
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| InChI |
InChI=1S/C20H30O3/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h2,11,14-18,22-23H,3-10,12H2,1H3/t14-,15?,16?,17?,18-,19-,20+/m0/s1
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| InChIKey |
MUIBEBOESLAUGZ-IHMSJTIWSA-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