General Information of the Compound
| Compound ID |
CP0921264
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| Compound Name |
(R)-6-(4-((4-(4-chlorophenyl)-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 |
C23H24ClN5O2
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| Molecular Weight |
437.931
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H24ClN5O2/c1-15-13-28(8-9-29(15)20-5-3-19(24)4-6-20)14-18-12-26-27-22(18)16-2-7-21-17(10-16)11-25-23(30)31-21/h2-7,10,12,15H,8-9,11,13-14H2,1H3,(H,25,30)(H,26,27)/t15-/m1/s1
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| InChIKey |
QRRQYFWEAAHVDS-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