General Information of the Compound
| Compound ID |
CP0847367
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| Compound Name |
1-(4-Chloro-phenyl)-4-(4-cyclopropylmethyl-piperazin-1-yl)-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C18H24Cl2N2O2
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| Molecular Weight |
371.308
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| Canonical SMILES |
Cl.O=C(CCC(=O)N1CCN(CC2CC2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H23ClN2O2.ClH/c19-16-5-3-15(4-6-16)17(22)7-8-18(23)21-11-9-20(10-12-21)13-14-1-2-14;/h3-6,14H,1-2,7-13H2;1H
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| InChIKey |
UXYKMVALJGEGTR-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