General Information of the Compound
| Compound ID |
CP0433666
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| Compound Name |
((S)-2-Methyl-butyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester; compound with (E)-but-2-enedioic acid
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| Structure |
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| Formula |
C12H21N3O2
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| Molecular Weight |
239.319
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| Canonical SMILES |
CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1
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| InChI |
InChI=1S/C12H21N3O2/c1-3-10(2)7-14-12(16)17-6-4-5-11-8-13-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t10-/m0/s1
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| InChIKey |
IGFRVSYYVNOZIU-JTQLQIEISA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor