General Information of the Compound
| Compound ID |
CP0916497
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| Compound Name |
4-[(1R,2R,6S,7S)-3,5-dioxo-9-(phenylsulfonyl)-11-oxa-4,9-diazatricyclo[5.3.1.0 2,6]undec-4-yl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C24H20F3N3O5S
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| Molecular Weight |
519.501
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| Canonical SMILES |
C[C@]12CN(S(=O)(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12
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| InChI |
InChI=1S/C24H20F3N3O5S/c1-22-12-29(36(33,34)16-6-4-3-5-7-16)13-23(2,35-22)19-18(22)20(31)30(21(19)32)15-9-8-14(11-28)17(10-15)24(25,26)27/h3-10,18-19H,12-13H2,1-2H3/t18-,19+,22-,23+
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| InChIKey |
BTYSUZNJKDIDLF-PVTAMDAMSA-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