General Information of the Compound
| Compound ID |
CP0216658
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| Compound Name |
(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
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| Structure |
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| Formula |
C20H30O
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| Molecular Weight |
286.459
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C20H30O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h12,15-18,21H,1,4-11H2,2-3H3/t15-,16-,17-,18-,19-,20-/m0/s1
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| InChIKey |
XBIDKWMHMCYHQY-RABCQHRBSA-N
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| CAS |
21952-93-2
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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