General Information of the Compound
| Compound ID |
CP0538580
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| Compound Name |
(8R,9S,11S,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-13-methyl-3'-methylidenespiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
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| Structure |
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| Formula |
C30H39NO2
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| Molecular Weight |
445.647
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3[C@@H]12
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| InChI |
InChI=1S/C30H39NO2/c1-19-14-16-33-30(19)15-13-27-25-11-7-21-17-23(32)10-12-24(21)28(25)26(18-29(27,30)2)20-5-8-22(9-6-20)31(3)4/h5-6,8-9,17,24-28H,1,7,10-16,18H2,2-4H3/t24?,25-,26+,27-,28+,29-,30+/m0/s1
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| InChIKey |
BQHRYCHZLWAAIW-BNIHCRAJSA-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