General Information of the Compound
| Compound ID |
CP0386911
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| Compound Name |
(8S,11R,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-11-(4-morpholin-4-ylphenyl)-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 |
C34H43NO3
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| Molecular Weight |
513.722
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| Canonical SMILES |
CC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C34H43NO3/c1-32(2,3)15-16-34(37)14-13-30-28-11-7-24-21-26(36)10-12-27(24)31(28)29(22-33(30,34)4)23-5-8-25(9-6-23)35-17-19-38-20-18-35/h5-6,8-9,21,28-30,37H,7,10-14,17-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1
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| InChIKey |
VPFJZDXODRIHHJ-GAXVQCDJSA-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