General Information of the Compound
| Compound ID |
CP0435924
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| Compound Name |
2-methyl-N-{4-[1-(4-methyl-piperazine-1-carbonyl)-piperidin-4-ylsulfamoyl]-aphthalen-1-yl}-benzamide
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| Structure |
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| Formula |
C29H35N5O4S
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| Molecular Weight |
549.697
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| Canonical SMILES |
CN1CCN(CC1)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C29H35N5O4S/c1-21-7-3-4-8-23(21)28(35)30-26-11-12-27(25-10-6-5-9-24(25)26)39(37,38)31-22-13-15-33(16-14-22)29(36)34-19-17-32(2)18-20-34/h3-12,22,31H,13-20H2,1-2H3,(H,30,35)
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| InChIKey |
OHPIAISBTHGTMM-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