General Information of the Compound
| Compound ID |
CP0524655
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| Compound Name |
[(8S,9S,13S,14S,17S)-13-methyl-3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C31H46N2O2
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| Molecular Weight |
478.721
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)N4CCCC4)[C@@H]3CCc2c1
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| InChI |
InChI=1S/C31H46N2O2/c1-22-7-5-18-32(22)19-6-20-35-24-9-11-25-23(21-24)8-10-27-26(25)14-15-31(2)28(27)12-13-29(31)30(34)33-16-3-4-17-33/h9,11,21-22,26-29H,3-8,10,12-20H2,1-2H3/t22-,26-,27-,28+,29-,31+/m1/s1
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| InChIKey |
ZLSDKIXUBGVXOG-LKEPQWRZSA-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