General Information of the Compound
| Compound ID |
CP0952214
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| Compound Name |
(R)-6-(4-((3-methyl-4-(4-(trifluoromethyl)pyrimidin-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 |
C22H22F3N7O2
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| Molecular Weight |
473.459
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1nccc(C(F)(F)F)n1
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| InChI |
InChI=1S/C22H22F3N7O2/c1-13-11-31(6-7-32(13)20-26-5-4-18(29-20)22(23,24)25)12-16-10-28-30-19(16)14-2-3-17-15(8-14)9-27-21(33)34-17/h2-5,8,10,13H,6-7,9,11-12H2,1H3,(H,27,33)(H,28,30)/t13-/m1/s1
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| InChIKey |
GBHBYZVPZVAWRJ-CYBMUJFWSA-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