General Information of the Compound
| Compound ID |
CP0429263
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| Compound Name |
N-[2-(6-fluoronaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
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| Structure |
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| Formula |
C25H30FN3O3S
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| Molecular Weight |
471.598
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| Canonical SMILES |
COc1ccc(cc1N1CCNCC1)S(=O)(=O)NCC(C)(C)c1cccc2cc(F)ccc12
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| InChI |
InChI=1S/C25H30FN3O3S/c1-25(2,22-6-4-5-18-15-19(26)7-9-21(18)22)17-28-33(30,31)20-8-10-24(32-3)23(16-20)29-13-11-27-12-14-29/h4-10,15-16,27-28H,11-14,17H2,1-3H3
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| InChIKey |
DZPZTKVIYIQNPS-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