General Information of the Compound
| Compound ID |
CP0565245
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| Compound Name |
7-[(3S,8S,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]octane-1,7-diol
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| Formula |
C27H46O3
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| Molecular Weight |
418.662
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| Canonical SMILES |
CC(O)(CCCCCCO)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C27H46O3/c1-25-15-12-20(29)18-19(25)8-9-21-22-10-11-24(26(22,2)16-13-23(21)25)27(3,30)14-6-4-5-7-17-28/h8,20-24,28-30H,4-7,9-18H2,1-3H3/t20-,21-,22-,23-,24?,25-,26-,27?/m0/s1
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| InChIKey |
TZQMDXPSIZYUCJ-HKIFLSDQSA-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