General Information of the Compound
| Compound ID |
CP0390610
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| Compound Name |
3-[6-[4-(4-benzylpiperazin-1-yl)anilino]-2-(4-hydroxybutylamino)purin-9-yl]cyclopentan-1-ol
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| Structure |
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| Formula |
C31H40N8O2
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| Molecular Weight |
556.715
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| Canonical SMILES |
OCCCCNc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCC(O)C3)c2n1
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| InChI |
InChI=1S/C31H40N8O2/c40-19-5-4-14-32-31-35-29(28-30(36-31)39(22-33-28)26-12-13-27(41)20-26)34-24-8-10-25(11-9-24)38-17-15-37(16-18-38)21-23-6-2-1-3-7-23/h1-3,6-11,22,26-27,40-41H,4-5,12-21H2,(H2,32,34,35,36)
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| InChIKey |
UBXYULTUXDDTBJ-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