General Information of the Compound
| Compound ID |
CP0895091
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| Compound Name |
1-(4-Chloro-phenyl)-4-(4-cycloheptyl-piperazin-1-yl)-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C21H30Cl2N2O2
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| Molecular Weight |
413.389
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| Canonical SMILES |
Cl.O=C(CCC(=O)N1CCN(C2CCCCCC2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H29ClN2O2.ClH/c22-18-9-7-17(8-10-18)20(25)11-12-21(26)24-15-13-23(14-16-24)19-5-3-1-2-4-6-19;/h7-10,19H,1-6,11-16H2;1H
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| InChIKey |
MZSUIUYJTFQBJZ-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