General Information of the Compound
| Compound ID |
CP0569362
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| Compound Name |
9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
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| Structure |
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| Formula |
C26H36N8O
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| Molecular Weight |
476.629
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| Canonical SMILES |
CN1CCN(CC1)c1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C26H36N8O/c1-31-10-12-33(13-11-31)26-29-24(23-25(30-26)34(19-27-23)22-4-2-3-5-22)28-21-8-6-20(7-9-21)18-32-14-16-35-17-15-32/h6-9,19,22H,2-5,10-18H2,1H3,(H,28,29,30)
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| InChIKey |
WOEGHYZTQQVUIG-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