General Information of the Compound
| Compound ID |
CP0488642
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| Compound Name |
N-[3-[[5-cyclopropyl-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C23H28N8O
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| Molecular Weight |
432.532
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| Canonical SMILES |
O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1
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| InChI |
InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)
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| InChIKey |
UNJQFYGCPVIKPA-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