General Information of the Compound
| Compound ID |
CP0888198
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| Compound Name |
1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid (E)-3-methyl-pent-2-en-4-ynyl ester hydrochloride
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| Structure |
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| Formula |
C11H15ClN2O2
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| Molecular Weight |
242.706
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| Canonical SMILES |
C#C/C(C)=C/COC(=O)C1CN=CNC1.Cl
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| InChI |
InChI=1S/C11H14N2O2.ClH/c1-3-9(2)4-5-15-11(14)10-6-12-8-13-7-10;/h1,4,8,10H,5-7H2,2H3,(H,12,13);1H/b9-4+;
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| InChIKey |
MRKZDQUMGLDCKW-JOKMOOFLSA-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