General Information of the Compound
| Compound ID |
CP0404114
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| Compound Name |
3-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]propan-1-ol
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| Structure |
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| Formula |
C24H33N7O2
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| Molecular Weight |
451.575
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| Canonical SMILES |
OCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C24H33N7O2/c32-13-3-10-25-24-28-22(21-23(29-24)31(17-26-21)20-4-1-2-5-20)27-19-8-6-18(7-9-19)16-30-11-14-33-15-12-30/h6-9,17,20,32H,1-5,10-16H2,(H2,25,27,28,29)
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| InChIKey |
QCZLCAIGHYXNII-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