General Information of the Compound
| Compound ID |
CP0951009
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| Compound Name |
(S)-6-(4-((3-methyl-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 |
C23H23F3N6O2
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| Molecular Weight |
472.471
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| Canonical SMILES |
C[C@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1
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| InChI |
InChI=1S/C23H23F3N6O2/c1-14-12-31(6-7-32(14)20-5-3-18(11-27-20)23(24,25)26)13-17-10-29-30-21(17)15-2-4-19-16(8-15)9-28-22(33)34-19/h2-5,8,10-11,14H,6-7,9,12-13H2,1H3,(H,28,33)(H,29,30)/t14-/m0/s1
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| InChIKey |
YRBQMVLKROEXIB-AWEZNQCLSA-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