General Information of the Compound
| Compound ID |
CP0440057
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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-(pyridin-3-ylmethyl)acetamide
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| Structure |
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| Formula |
C26H30N2O3
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| Molecular Weight |
418.537
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CC(=O)NCc1cccnc1)C2=O
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| InChI |
InChI=1S/C26H30N2O3/c1-26-9-8-21-20-7-5-19(29)11-17(20)4-6-22(21)23(26)12-18(25(26)31)13-24(30)28-15-16-3-2-10-27-14-16/h2-3,5,7,10-11,14,18,21-23,29H,4,6,8-9,12-13,15H2,1H3,(H,28,30)/t18?,21-,22-,23+,26+/m1/s1
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| InChIKey |
BTPQVHAQGIEPTN-RFUAPGDKSA-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