General Information of the Compound
| Compound ID |
CP0496631
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| Compound Name |
(3S,10'S,11'S,15'S,17'R)-17'-(3-fluoro-4-methoxyphenyl)-5,15'-dimethyl-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 |
C29H32FNO3
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| Molecular Weight |
461.577
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| Canonical SMILES |
COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C29H32FNO3/c1-16-29(31-17(2)34-16)12-11-24-22-8-5-18-13-20(32)7-9-21(18)27(22)23(15-28(24,29)3)19-6-10-26(33-4)25(30)14-19/h6,10,13-14,22-24H,1,5,7-9,11-12,15H2,2-4H3/t22-,23+,24-,28-,29+/m0/s1
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| InChIKey |
DVIBYGTZNAJRGB-IOQHNNRJSA-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