General Information of the Compound
| Compound ID |
CP0153780
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| Compound Name |
(8S,9S,11S,13S,14S,17S)-11,17-dihydroxy-13-methyl-17-(3-methylbut-1-ynyl)-N-(2-methylpyridin-3-yl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-carboxamide
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| Structure |
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| Formula |
C30H36N2O3
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| Molecular Weight |
472.629
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| Canonical SMILES |
CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3[C@@H](O)C[C@]12C)C(=O)Nc1cccnc1C
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| InChI |
InChI=1S/C30H36N2O3/c1-18(2)11-13-30(35)14-12-24-23-10-7-20-16-21(28(34)32-25-6-5-15-31-19(25)3)8-9-22(20)27(23)26(33)17-29(24,30)4/h5-6,8-9,15-16,18,23-24,26-27,33,35H,7,10,12,14,17H2,1-4H3,(H,32,34)/t23-,24-,26-,27+,29-,30-/m0/s1
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| InChIKey |
AFNGPPDCJVQJQX-GYBXLDJFSA-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