General Information of the Compound
| Compound ID |
CP0482310
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| Compound Name |
(E)-but-2-enedioic acid;4-[3-(propylamino)azetidin-1-yl]pyrimidin-2-amine;hydrate
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| Structure |
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| Formula |
C14H23N5O5
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| Molecular Weight |
341.368
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| Canonical SMILES |
O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1
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| InChI |
InChI=1S/C10H17N5.C4H4O4.H2O/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9;5-3(6)1-2-4(7)8;/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14);1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;
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| InChIKey |
UZVUVIRYRBXPBX-JITBQSAISA-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
Protein ID: PT03665, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Protein ID: PT04730, Histamine H4 receptor