General Information of the Compound
| Compound ID |
CP0373454
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| Compound Name |
(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-13-methylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-cyclopentane]-1',3-dione
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| Structure |
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| Formula |
C30H37NO2
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| Molecular Weight |
443.631
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]22CCCC2=O)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C30H37NO2/c1-29-18-25(19-6-9-21(10-7-19)31(2)3)28-23-13-11-22(32)17-20(23)8-12-24(28)26(29)14-16-30(29)15-4-5-27(30)33/h6-7,9-10,17,24-26H,4-5,8,11-16,18H2,1-3H3/t24-,25+,26-,29-,30+/m0/s1
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| InChIKey |
QYGMXYALPBPWHP-HMWAHOBHSA-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