General Information of the Compound
| Compound ID |
CP0404922
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| Compound Name |
(1R,3S,3aR,3bS,10R)-1-Hydroxy-1-isopropenyl-10-(4-methanesulfonyl-phenyl)-12a-methyl-2,3,3a,3b,4,5,9,10,12,12a-decahydro-1H,8H-11-oxa-naphtho[2,1-e]azulen-7-one
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| Structure |
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| Formula |
C28H34O5S
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| Molecular Weight |
482.642
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| Canonical SMILES |
CC(=C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](OC[C@]12C)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C28H34O5S/c1-17(2)28(30)14-13-24-23-11-7-19-15-20(29)8-12-22(19)25(23)26(33-16-27(24,28)3)18-5-9-21(10-6-18)34(4,31)32/h5-6,9-10,15,23-24,26,30H,1,7-8,11-14,16H2,2-4H3/t23-,24-,26+,27-,28+/m0/s1
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| InChIKey |
RPHZKNSCEWZAMO-YJKNTMTJSA-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