General Information of the Compound
| Compound ID |
CP0549519
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| Compound Name |
3,5-dimethoxy-N-[5-[3-(4-methylpiperazin-1-yl)propyl]-4-phenyl-1,3-thiazol-2-yl]benzamide;trihydrochloride
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| Structure |
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| Formula |
C26H35Cl3N4O3S
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| Molecular Weight |
590.017
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| Canonical SMILES |
Cl.Cl.Cl.COc1cc(OC)cc(c1)C(=O)Nc1nc(c(CCCN2CCN(C)CC2)s1)-c1ccccc1
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| InChI |
InChI=1S/C26H32N4O3S.3ClH/c1-29-12-14-30(15-13-29)11-7-10-23-24(19-8-5-4-6-9-19)27-26(34-23)28-25(31)20-16-21(32-2)18-22(17-20)33-3;;;/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,27,28,31);3*1H
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| InChIKey |
RQKJPLKCWQEFLG-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