General Information of the Compound
| Compound ID |
CP0968100
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| Compound Name |
(R)-6-(4-((4-(5-chloropyridin-2-yl)-3-methylpiperazin-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 |
C22H23ClN6O2
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| Molecular Weight |
438.919
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(Cl)cn1
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| InChI |
InChI=1S/C22H23ClN6O2/c1-14-12-28(6-7-29(14)20-5-3-18(23)11-24-20)13-17-10-26-27-21(17)15-2-4-19-16(8-15)9-25-22(30)31-19/h2-5,8,10-11,14H,6-7,9,12-13H2,1H3,(H,25,30)(H,26,27)/t14-/m1/s1
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| InChIKey |
IPLIJNUMTRXEJX-CQSZACIVSA-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