General Information of the Compound
| Compound ID |
CP0015251
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| Compound Name |
5-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C22H24N8O2
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| Molecular Weight |
432.488
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cn1
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| InChI |
InChI=1S/C22H24N8O2/c1-14-12-24-21(26-16-4-6-19(23-13-16)30-9-7-29(2)8-10-30)28-20(14)25-15-3-5-18-17(11-15)27-22(31)32-18/h3-6,11-13H,7-10H2,1-2H3,(H,27,31)(H2,24,25,26,28)
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| InChIKey |
VRHMZZOLTHXZAU-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