General Information of the Compound
| Compound ID |
CP0434728
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17S)-11-[(4-chlorophenyl)methoxy]-17-hydroxy-10,13-dimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H35ClO3
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| Molecular Weight |
467.049
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)OCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H35ClO3/c1-4-13-29(32)15-12-24-23-10-7-20-16-22(31)11-14-27(20,2)26(23)25(17-28(24,29)3)33-18-19-5-8-21(30)9-6-19/h5-6,8-9,16,23-26,32H,7,10-12,14-15,17-18H2,1-3H3/t23-,24-,25-,26+,27-,28-,29-/m0/s1
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| InChIKey |
UDDUGXMYFCMHJO-RERXQODOSA-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
Protein ID: PT01172, Progesterone receptor