General Information of the Compound
| Compound ID |
CP0534932
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| Compound Name |
3-[4-Amino-2-(4-butyl-phenylamino)-pyrrolo[2,3-d]pyrimidin-7-yl]-5-hydroxymethyl-cyclopentane-1,2-diol
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| Structure |
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| Formula |
C22H29N5O3
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| Molecular Weight |
411.506
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| Canonical SMILES |
CCCCc1ccc(Nc2nc(N)c3ccn(C4CC(CO)C(O)C4O)c3n2)cc1
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| InChI |
InChI=1S/C22H29N5O3/c1-2-3-4-13-5-7-15(8-6-13)24-22-25-20(23)16-9-10-27(21(16)26-22)17-11-14(12-28)18(29)19(17)30/h5-10,14,17-19,28-30H,2-4,11-12H2,1H3,(H3,23,24,25,26)
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| InChIKey |
HKUYFUJIZVTTMR-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