General Information of the Compound
| Compound ID |
CP0513478
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| Compound Name |
(8S,11R,13S,14S,17S)-11-(2-ethyl-1,3-benzoxazol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H33NO3
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| Molecular Weight |
455.598
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| Canonical SMILES |
CCc1nc2cc(ccc2o1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C30H33NO3/c1-4-13-30(33)14-12-24-22-9-6-18-15-20(32)8-10-21(18)28(22)23(17-29(24,30)3)19-7-11-26-25(16-19)31-27(5-2)34-26/h7,11,15-16,22-24,33H,5-6,8-10,12,14,17H2,1-3H3/t22-,23+,24-,29-,30-/m0/s1
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| InChIKey |
PBRBWYQRHGSGKO-QDFBQLGHSA-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