General Information of the Compound
| Compound ID |
CP0204371
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| Compound Name |
N-[3-[[5-cyclopropyl-2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C24H28N6O2
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| Molecular Weight |
432.528
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| Canonical SMILES |
O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1
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| InChI |
InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)
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| InChIKey |
DHEGBWHMLXDRTE-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