General Information of the Compound
| Compound ID |
CP0845618
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| Compound Name |
4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-1,7-dimethyl-3,5-dioxo-11-oxa-4,9-diaza-tricyclo[5.3.1.0*2,6*]undec-4-yl]-2-trifluoromethyl-benzonitrile
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| Structure |
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| Formula |
C24H19F4N3O5S
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| Molecular Weight |
537.491
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| Canonical SMILES |
C[C@]12CN(S(=O)(=O)c3ccc(F)cc3)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/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,18-19H,11-12H2,1-2H3/t18-,19+,22-,23+
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| InChIKey |
ZMUPHOCQFUCPGF-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