General Information of the Compound
| Compound ID |
CP0470764
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| Compound Name |
(E)-but-2-enedioic acid;4-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C15H21N5O4
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| Molecular Weight |
335.364
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| Canonical SMILES |
OC(=O)\C=C\C(O)=O.Nc1nccc(n1)N1CC(C1)N1CCCC1
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| InChI |
InChI=1S/C11H17N5.C4H4O4/c12-11-13-4-3-10(14-11)16-7-9(8-16)15-5-1-2-6-15;5-3(6)1-2-4(7)8/h3-4,9H,1-2,5-8H2,(H2,12,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
WRBOQUAJZDAMRY-WLHGVMLRSA-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