General Information of the Compound
| Compound ID |
CP0429264
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| Compound Name |
4-methoxy-3-(4-methylpiperazin-1-yl)-N-[(1-naphthalen-1-ylcyclopropyl)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H31N3O3S
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| Molecular Weight |
465.619
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| Canonical SMILES |
COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCC1(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H31N3O3S/c1-28-14-16-29(17-15-28)24-18-21(10-11-25(24)32-2)33(30,31)27-19-26(12-13-26)23-9-5-7-20-6-3-4-8-22(20)23/h3-11,18,27H,12-17,19H2,1-2H3
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| InChIKey |
PEEOGJKQKXVAGN-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