General Information of the Compound
| Compound ID |
CP0396170
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| Compound Name |
2-N-benzyl-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
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| Structure |
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| Formula |
C28H33N7O
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| Molecular Weight |
483.62
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| Canonical SMILES |
C(Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1)c1ccccc1
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| InChI |
InChI=1S/C28H33N7O/c1-2-6-21(7-3-1)18-29-28-32-26(25-27(33-28)35(20-30-25)24-8-4-5-9-24)31-23-12-10-22(11-13-23)19-34-14-16-36-17-15-34/h1-3,6-7,10-13,20,24H,4-5,8-9,14-19H2,(H2,29,31,32,33)
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| InChIKey |
DRHOTIFDKPIRCT-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