General Information of the Compound
| Compound ID |
CP0438275
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| Compound Name |
3-methyl-2-[[6-(4-piperazin-1-ylanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C23H34N8O
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| Molecular Weight |
438.58
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| Canonical SMILES |
CC(C)C(CO)Nc1nc(Nc2ccc(cc2)N2CCNCC2)c2ncn(C(C)C)c2n1
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| InChI |
InChI=1S/C23H34N8O/c1-15(2)19(13-32)27-23-28-21(20-22(29-23)31(14-25-20)16(3)4)26-17-5-7-18(8-6-17)30-11-9-24-10-12-30/h5-8,14-16,19,24,32H,9-13H2,1-4H3,(H2,26,27,28,29)
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| InChIKey |
PCKCQHTXFTYJSH-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