General Information of the Compound
| Compound ID |
CP0916915
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| Compound Name |
4-Methyl-piperazine-1-carboxylic acid (5-chloro-1H-benzoimidazol-2-yl)-amide
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| Structure |
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| Formula |
C13H16ClN5O
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| Molecular Weight |
293.758
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| Canonical SMILES |
CN1CCN(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)CC1
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| InChI |
InChI=1S/C13H16ClN5O/c1-18-4-6-19(7-5-18)13(20)17-12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H2,15,16,17,20)
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| InChIKey |
QXFZRQDIKJCVPP-UHFFFAOYSA-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