General Information of the Compound
| Compound ID |
CP0922336
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| Compound Name |
4-{3-[4-(1-Ethyl-propyl)-piperazin-1-yl]-3-oxo-propoxy}-benzonitrile hydrochloride
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| Structure |
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| Formula |
C19H28ClN3O2
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| Molecular Weight |
365.905
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| Canonical SMILES |
CCC(CC)N1CCN(C(=O)CCOc2ccc(C#N)cc2)CC1.Cl
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| InChI |
InChI=1S/C19H27N3O2.ClH/c1-3-17(4-2)21-10-12-22(13-11-21)19(23)9-14-24-18-7-5-16(15-20)6-8-18;/h5-8,17H,3-4,9-14H2,1-2H3;1H
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| InChIKey |
FMRJWYQTKOMZNC-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