General Information of the Compound
| Compound ID |
CP0421974
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| Compound Name |
(8S,11R,13S,14R,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,8,11,12,13,14,15,16,17-decahydro-6H-7-oxa-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C28H33NO3
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| Molecular Weight |
431.576
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C28H33NO3/c1-5-13-28(31)14-12-24-26-25(22-11-10-21(30)15-19(22)17-32-26)23(16-27(24,28)2)18-6-8-20(9-7-18)29(3)4/h6-9,15,23-24,26,31H,10-12,14,16-17H2,1-4H3/t23-,24+,26+,27+,28+/m1/s1
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| InChIKey |
QERAYFKUUJKNBZ-TURAVAODSA-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