General Information of the Compound
| Compound ID |
CP0952215
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| Compound Name |
(R)-4,4-dimethyl-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 |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)C(C)(C)NC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1
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| InChI |
InChI=1S/C25H27F3N6O2/c1-15-13-33(8-9-34(15)21-7-5-18(12-29-21)25(26,27)28)14-17-11-30-32-22(17)16-4-6-20-19(10-16)24(2,3)31-23(35)36-20/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,30,32)(H,31,35)/t15-/m1/s1
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| InChIKey |
FQDSRDKZHKVKTJ-OAHLLOKOSA-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