General Information of the Compound
| Compound ID |
CP0440627
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| Compound Name |
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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| Structure |
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| Formula |
C26H42N2O3
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| Molecular Weight |
430.633
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| Canonical SMILES |
C[C@H](CCc1nc(C)no1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C26H42N2O3/c1-15(5-8-23-27-16(2)28-31-23)19-6-7-20-24-21(10-12-26(19,20)4)25(3)11-9-18(29)13-17(25)14-22(24)30/h15,17-22,24,29-30H,5-14H2,1-4H3/t15-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
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| InChIKey |
MHGAOOBXAREGTE-YITAYXLBSA-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