General Information of the Compound
| Compound ID |
CP0511481
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| Compound Name |
5-Pentylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C20H25N3O3S
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| Molecular Weight |
387.505
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| Canonical SMILES |
CCCCCNc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C20H25N3O3S/c1-4-5-6-13-21-18-11-7-10-17-16(18)9-8-12-19(17)27(24,25)23-20-14(2)15(3)22-26-20/h7-12,21,23H,4-6,13H2,1-3H3
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| InChIKey |
FGLMWLPVEOAXOS-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