General Information of the Compound
| Compound ID |
CP0386925
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| Compound Name |
3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
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| Structure |
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| Formula |
C17H22N4OS
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| Molecular Weight |
330.457
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| Canonical SMILES |
O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1
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| InChI |
InChI=1S/C17H22N4OS/c22-16(19-17-18-7-13-23-17)6-8-20-9-11-21(12-10-20)14-15-4-2-1-3-5-15/h1-5,7,13H,6,8-12,14H2,(H,18,19,22)
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| InChIKey |
QMEJEWNKCUSGFW-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