General Information of the Compound
| Compound ID |
CP0858358
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| Compound Name |
(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)-1,7-dimethyl-3,5-dioxo-11-oxa-4,9-diaza-tricyclo[5.3.1.0*2,6*]undecane-9-carboxylic acid isopropylamide
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| Structure |
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| Formula |
C22H23F3N4O4
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| Molecular Weight |
464.444
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| Canonical SMILES |
CC(C)NC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[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/C22H23F3N4O4/c1-11(2)27-19(32)28-9-20(3)15-16(21(4,10-28)33-20)18(31)29(17(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,15-16H,9-10H2,1-4H3,(H,27,32)/t15-,16+,20-,21+
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| InChIKey |
KDQDMEVDEGBBLP-LPTDTENNSA-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