General Information of the Compound
| Compound ID |
CP0861970
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| Compound Name |
(S)-6-(4-((3-(fluoromethyl)-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one
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| Structure |
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| Formula |
C23H22F4N6O2
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| Molecular Weight |
490.461
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| Canonical SMILES |
O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CF)C3)ccc2O1
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| InChI |
InChI=1S/C23H22F4N6O2/c24-8-18-13-32(5-6-33(18)20-4-2-17(11-28-20)23(25,26)27)12-16-10-30-31-21(16)14-1-3-19-15(7-14)9-29-22(34)35-19/h1-4,7,10-11,18H,5-6,8-9,12-13H2,(H,29,34)(H,30,31)/t18-/m1/s1
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| InChIKey |
ZGWIYTBKDMOMSZ-GOSISDBHSA-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