General Information of the Compound
| Compound ID |
CP0007630
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| Compound Name |
1-[2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
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| Structure |
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| Formula |
C21H30IN5O3
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| Molecular Weight |
527.407
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NCCN3CCC(O)CC3)nc2N)cc1I
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| InChI |
InChI=1S/C21H30IN5O3/c1-13(2)15-10-18(29-3)16(22)11-17(15)30-19-12-25-21(26-20(19)23)24-6-9-27-7-4-14(28)5-8-27/h10-14,28H,4-9H2,1-3H3,(H3,23,24,25,26)
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| InChIKey |
QIUGFNUDQJFIFZ-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