General Information of the Compound
| Compound ID |
CP0951008
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| Compound Name |
6-(4-((4-(2,3-dimethylphenyl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-2H-benzo[e][1,3]oxazine-2,4(3H)-dione
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
Cc1cccc(N2CCN(Cc3c[nH]nc3-c3ccc4oc(=O)[nH]c(=O)c4c3)CC2)c1C
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| InChI |
InChI=1S/C24H25N5O3/c1-15-4-3-5-20(16(15)2)29-10-8-28(9-11-29)14-18-13-25-27-22(18)17-6-7-21-19(12-17)23(30)26-24(31)32-21/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27)(H,26,30,31)
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| InChIKey |
GXALTZIXKSNMGV-UHFFFAOYSA-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