General Information of the Compound
| Compound ID |
CP0371776
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| Compound Name |
2-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]-N-(oxolan-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C25H33NO4
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| Molecular Weight |
411.542
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CC(=O)NCC1CCCO1)C2=O
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| InChI |
InChI=1S/C25H33NO4/c1-25-9-8-20-19-7-5-17(27)11-15(19)4-6-21(20)22(25)12-16(24(25)29)13-23(28)26-14-18-3-2-10-30-18/h5,7,11,16,18,20-22,27H,2-4,6,8-10,12-14H2,1H3,(H,26,28)/t16?,18?,20-,21-,22+,25+/m1/s1
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| InChIKey |
XZCNEAJZTOZWJU-DULHUGIDSA-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