General Information of the Compound
| Compound ID |
CP0443959
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| Compound Name |
4-methoxy-N-[(1-naphthalen-1-ylcyclopropyl)methyl]-3-piperazin-1-ylbenzenesulfonamide
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| Structure |
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| Formula |
C25H29N3O3S
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| Molecular Weight |
451.592
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| Canonical SMILES |
COc1ccc(cc1N1CCNCC1)S(=O)(=O)NCC1(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H29N3O3S/c1-31-24-10-9-20(17-23(24)28-15-13-26-14-16-28)32(29,30)27-18-25(11-12-25)22-8-4-6-19-5-2-3-7-21(19)22/h2-10,17,26-27H,11-16,18H2,1H3
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| InChIKey |
REFMUWXWBHUCRN-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