General Information of the Compound
| Compound ID |
CP0903808
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| Compound Name |
(S)-6-(4-((3-(hydroxymethyl)-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 |
C23H23F3N6O3
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| Molecular Weight |
488.47
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| Canonical SMILES |
O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CO)C3)ccc2O1
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| InChI |
InChI=1S/C23H23F3N6O3/c24-23(25,26)17-2-4-20(27-10-17)32-6-5-31(12-18(32)13-33)11-16-9-29-30-21(16)14-1-3-19-15(7-14)8-28-22(34)35-19/h1-4,7,9-10,18,33H,5-6,8,11-13H2,(H,28,34)(H,29,30)/t18-/m0/s1
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| InChIKey |
ULUSYFMYSOOJCN-SFHVURJKSA-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