General Information of the Compound
| Compound ID |
CP0534341
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| Compound Name |
(E)-but-2-enedioic acid;4-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C12H17N5O4
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| Molecular Weight |
295.299
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| Canonical SMILES |
OC(=O)\C=C\C(O)=O.CNC1CN(C1)c1ccnc(N)n1
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| InChI |
InChI=1S/C8H13N5.C4H4O4/c1-10-6-4-13(5-6)7-2-3-11-8(9)12-7;5-3(6)1-2-4(7)8/h2-3,6,10H,4-5H2,1H3,(H2,9,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
GPGGZCNINXEKPN-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