General Information of the Compound
| Compound ID |
CP0575425
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| Compound Name |
(2S)-2-hydroxy-3,3-dimethyl-N-[(1R,3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinoxalin-5-yl]cyclohexyl]butanamide
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| Structure |
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| Formula |
C22H28F3N3O2
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| Molecular Weight |
423.479
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| Canonical SMILES |
C[C@H]1C[C@H](C[C@@H](C1)c1ccc(c2nccnc12)C(F)(F)F)NC(=O)[C@@H](O)C(C)(C)C
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| InChI |
InChI=1S/C22H28F3N3O2/c1-12-9-13(11-14(10-12)28-20(30)19(29)21(2,3)4)15-5-6-16(22(23,24)25)18-17(15)26-7-8-27-18/h5-8,12-14,19,29H,9-11H2,1-4H3,(H,28,30)/t12-,13-,14-,19-/m1/s1
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| InChIKey |
BIPYJUZGNFXNSI-QGDIXAPHSA-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