General Information of the Compound
| Compound ID |
CP0944629
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| Compound Name |
1-(4-Chloro-phenyl)-4-(4-cyclopentyl-piperazin-1-yl)-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C19H26Cl2N2O2
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| Molecular Weight |
385.335
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| Canonical SMILES |
Cl.O=C(CCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H25ClN2O2.ClH/c20-16-7-5-15(6-8-16)18(23)9-10-19(24)22-13-11-21(12-14-22)17-3-1-2-4-17;/h5-8,17H,1-4,9-14H2;1H
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| InChIKey |
PTDPWWOSYLYAPX-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