General Information of the Compound
| Compound ID |
CP0452677
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| Compound Name |
N-[[1-(7-bromonaphthalen-1-yl)cyclopropyl]methyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
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| Structure |
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| Formula |
C25H28BrN3O3S
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| Molecular Weight |
530.488
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| Canonical SMILES |
COc1ccc(cc1N1CCNCC1)S(=O)(=O)NCC1(CC1)c1cccc2ccc(Br)cc12
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| InChI |
InChI=1S/C25H28BrN3O3S/c1-32-24-8-7-20(16-23(24)29-13-11-27-12-14-29)33(30,31)28-17-25(9-10-25)22-4-2-3-18-5-6-19(26)15-21(18)22/h2-8,15-16,27-28H,9-14,17H2,1H3
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| InChIKey |
BAGMCZLXWXOPIX-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