General Information of the Compound
| Compound ID |
CP0393072
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| Compound Name |
(3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5-ethyl-15'-methyl-2-methylidene-2H-spiro[1,4-oxazole-3,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-1',6'-dien-5'-one
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| Structure |
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| Formula |
C31H35NO3
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| Molecular Weight |
469.625
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| Canonical SMILES |
CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1
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| InChI |
InChI=1S/C31H35NO3/c1-5-28-32-31(19(3)35-28)15-14-27-25-12-10-22-16-23(34)11-13-24(22)29(25)26(17-30(27,31)4)21-8-6-20(7-9-21)18(2)33/h6-9,16,25-27H,3,5,10-15,17H2,1-2,4H3/t25-,26+,27-,30-,31+/m0/s1
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| InChIKey |
WIUDNDXMQHQJIL-QLAZATLASA-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