General Information of the Compound
| Compound ID |
CP0437868
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| Compound Name |
4-[(4-methylpiperazin-1-yl)methyl]-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
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| Structure |
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| Formula |
C21H24ClN5OS
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| Molecular Weight |
429.977
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| Canonical SMILES |
Cl.CN1CCN(Cc2ccc(cc2)C(=O)Nc2ncc(s2)-c2cccnc2)CC1
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| InChI |
InChI=1S/C21H23N5OS.ClH/c1-25-9-11-26(12-10-25)15-16-4-6-17(7-5-16)20(27)24-21-23-14-19(28-21)18-3-2-8-22-13-18;/h2-8,13-14H,9-12,15H2,1H3,(H,23,24,27);1H
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| InChIKey |
BJTTWHMHQOIGJS-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