General Information of the Compound
| Compound ID |
CP0386913
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| Compound Name |
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-propan-2-ylphenyl)-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 |
C30H36O2
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| Molecular Weight |
428.616
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C30H36O2/c1-5-15-30(32)16-14-27-25-12-10-22-17-23(31)11-13-24(22)28(25)26(18-29(27,30)4)21-8-6-20(7-9-21)19(2)3/h6-9,17,19,25-27,32H,10-14,16,18H2,1-4H3/t25-,26+,27-,29-,30-/m0/s1
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| InChIKey |
SCQOSSNZZUQQAV-ZHAKMVSLSA-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: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor