General Information of the Compound
| Compound ID |
CP0867180
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| Compound Name |
6-(4-((4-(5-(trifluoromethyl)pyridin-2-yl)-4,7-diazaspiro[2.5]octan-7-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 |
C24H23F3N6O2
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| Molecular Weight |
484.482
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| Canonical SMILES |
O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1
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| InChI |
InChI=1S/C24H23F3N6O2/c25-24(26,27)18-2-4-20(28-12-18)33-8-7-32(14-23(33)5-6-23)13-17-11-30-31-21(17)15-1-3-19-16(9-15)10-29-22(34)35-19/h1-4,9,11-12H,5-8,10,13-14H2,(H,29,34)(H,30,31)
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| InChIKey |
UFLQONLKMHNDNC-UHFFFAOYSA-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