General Information of the Compound
| Compound ID |
CP0952205
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| Compound Name |
(R)-6-(4-((3-methyl-4-(5-methylpyridin-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 |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc4c(c3)CNC(=O)O4)C[C@H]2C)nc1
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| InChI |
InChI=1S/C23H26N6O2/c1-15-3-6-21(24-10-15)29-8-7-28(13-16(29)2)14-19-12-26-27-22(19)17-4-5-20-18(9-17)11-25-23(30)31-20/h3-6,9-10,12,16H,7-8,11,13-14H2,1-2H3,(H,25,30)(H,26,27)/t16-/m1/s1
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| InChIKey |
ZJPNINMNSZMXDS-MRXNPFEDSA-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