General Information of the Compound
| Compound ID |
CP0528553
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| Compound Name |
(8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-17-hydroxy-17-(4-methoxy-phenylethynyl)-13-methyl-1,2,8,11,12,13,14,15,16,17-decahydro-6H-7-oxa-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C34H37NO4
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| Molecular Weight |
523.673
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| Canonical SMILES |
COc1ccc(cc1)C#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C34H37NO4/c1-33-20-29(23-7-9-25(10-8-23)35(2)3)31-28-14-11-26(36)19-24(28)21-39-32(31)30(33)16-18-34(33,37)17-15-22-5-12-27(38-4)13-6-22/h5-10,12-13,19,29-30,32,37H,11,14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
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| InChIKey |
LAMUPVVILVBHJF-VAPLLCTJSA-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
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor