General Information of the Compound
| Compound ID |
CP0097577
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| Compound Name |
(4R,5S)-2,2,4-Trimethyl-5-(3-trifluoromethyl-phenyl)-1,2,4,5-tetrahydro-6-oxa-1-aza-chrysen-3-one
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| Structure |
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| Formula |
C26H22F3NO2
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| Molecular Weight |
437.461
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| Canonical SMILES |
C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12
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| InChI |
InChI=1S/C26H22F3NO2/c1-14-21-19(30-25(2,3)24(14)31)12-11-18-17-9-4-5-10-20(17)32-23(22(18)21)15-7-6-8-16(13-15)26(27,28)29/h4-14,23,30H,1-3H3/t14-,23+/m1/s1
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| InChIKey |
FZORYLRILGENBG-FATZIPQQSA-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