General Information of the Compound
| Compound ID |
CP0445054
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| Compound Name |
(8S,11R,13S,14S,17R)-11-(4-diethoxyphosphorylphenyl)-13-methyl-3'-methylidenespiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
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| Structure |
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| Formula |
C32H41O5P
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| Molecular Weight |
536.649
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| Canonical SMILES |
CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C32H41O5P/c1-5-36-38(34,37-6-2)25-11-7-22(8-12-25)28-20-31(4)29(15-17-32(31)21(3)16-18-35-32)27-13-9-23-19-24(33)10-14-26(23)30(27)28/h7-8,11-12,19,27-29H,3,5-6,9-10,13-18,20H2,1-2,4H3/t27-,28+,29-,31-,32+/m0/s1
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| InChIKey |
NVKFRYWNCLQAGR-YNRSWHRWSA-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