General Information of the Compound
| Compound ID |
CP0397051
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| Compound Name |
(1'S,2R,2'S,6'R,9'R)-9'-(4-methoxyphenyl)-6'-methyl-3-methylidene-8'-oxaspiro[oxolane-2,5'-tetracyclo[8.8.0.0^{2,6}.0^{11,16}]octadecane]-10',15'-dien-14'-one
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| Structure |
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| Formula |
C29H34O4
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| Molecular Weight |
446.587
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| Canonical SMILES |
COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C29H34O4/c1-18-13-15-33-29(18)14-12-25-24-10-6-20-16-21(30)7-11-23(20)26(24)27(32-17-28(25,29)2)19-4-8-22(31-3)9-5-19/h4-5,8-9,16,24-25,27H,1,6-7,10-15,17H2,2-3H3/t24-,25-,27+,28-,29+/m0/s1
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| InChIKey |
DJRBZWVBECJRTM-DCJUPOQYSA-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