General Information of the Compound
| Compound ID |
CP0554024
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| Compound Name |
N-[(8R,9S,13S,14S,15R)-13-methyl-3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]acetamide
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| Structure |
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| Formula |
C28H40N2O3
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| Molecular Weight |
452.639
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc2[C@H]3CC[C@@]4(C)[C@@H]([C@@H](CC4=O)NC(C)=O)[C@@H]3CCc2c1
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| InChI |
InChI=1S/C28H40N2O3/c1-18-6-4-13-30(18)14-5-15-33-21-8-10-22-20(16-21)7-9-24-23(22)11-12-28(3)26(32)17-25(27(24)28)29-19(2)31/h8,10,16,18,23-25,27H,4-7,9,11-15,17H2,1-3H3,(H,29,31)/t18-,23-,24-,25-,27-,28-/m1/s1
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| InChIKey |
FFQHMZDWSCNBIH-RQPJWTHUSA-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