General Information of the Compound
| Compound ID |
CP0934281
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| Compound Name |
(R)-6-(2-methyl-4-((3-(2-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)-1H-pyrazol-4-yl)methyl)piperazin-1-yl)nicotinonitrile
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| Structure |
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| Formula |
C23H23N7O2
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| Molecular Weight |
429.484
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C#N)cn1
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| InChI |
InChI=1S/C23H23N7O2/c1-15-13-29(6-7-30(15)21-5-2-16(9-24)10-25-21)14-19-12-27-28-22(19)17-3-4-20-18(8-17)11-26-23(31)32-20/h2-5,8,10,12,15H,6-7,11,13-14H2,1H3,(H,26,31)(H,27,28)/t15-/m1/s1
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| InChIKey |
BQUQYWPSIOCKQL-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