General Information of the Compound
| Compound ID |
CP0536358
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| Compound Name |
(8S,11R,13S,14R,17S)-11-(4-dimethylamino-phenyl)-17-hydroxy-17-(3-methoxy-prop-1-ynyl)-11,13-dimethyl-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 |
C30H37NO4
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| Molecular Weight |
475.629
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| Canonical SMILES |
COCC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@](C)(C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C30H37NO4/c1-28(21-7-9-22(10-8-21)31(3)4)19-29(2)25(13-15-30(29,33)14-6-16-34-5)27-26(28)24-12-11-23(32)17-20(24)18-35-27/h7-10,17,25,27,33H,11-13,15-16,18-19H2,1-5H3/t25-,27-,28+,29-,30-/m0/s1
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| InChIKey |
HFQCJPQBQUZNQQ-PAQODBCHSA-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