General Information of the Compound
| Compound ID |
CP0568805
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| Compound Name |
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylpiperazine-1-carbonyl)benzamide
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| Structure |
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| Formula |
C21H22N4O3S
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| Molecular Weight |
410.499
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| Canonical SMILES |
COc1ccc2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc2c1
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| InChI |
InChI=1S/C21H22N4O3S/c1-24-9-11-25(12-10-24)20(27)15-5-3-14(4-6-15)19(26)23-21-22-17-8-7-16(28-2)13-18(17)29-21/h3-8,13H,9-12H2,1-2H3,(H,22,23,26)
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| InChIKey |
XPTPNOLAWYCTCK-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