General Information of the Compound
| Compound ID |
CP0043299
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| Compound Name |
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C25H26N4O3S2
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| Molecular Weight |
494.642
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H26N4O3S2/c1-28-15-17-29(18-16-28)34(31,32)23-13-11-22(12-14-23)26-25(33)27-24(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H2,26,27,30,33)
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| InChIKey |
WIPAPINPNZHXBZ-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