General Information of the Compound
| Compound ID |
CP0406436
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| Compound Name |
(3S,8R,9S,10S,13S,14S)-3-(cyclohexylmethyl)-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C26H42O2
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| Molecular Weight |
386.62
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CC5CCCCC5)CC[C@]34C)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C26H42O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h18-22,28H,3-17H2,1-2H3/t19?,20-,21-,22-,24-,25-,26-/m0/s1
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| InChIKey |
AGZUGBIFMNYFCX-FVHGTGQMSA-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