General Information of the Compound
| Compound ID |
CP0421893
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| Compound Name |
4-{[3-(2-aminoethyl)-1H-indole-1-]sulfonyl}aniline
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| Structure |
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| Formula |
C16H17N3O2S
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| Molecular Weight |
315.398
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| Canonical SMILES |
NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
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| InChI |
InChI=1S/C16H17N3O2S/c17-10-9-12-11-19(16-4-2-1-3-15(12)16)22(20,21)14-7-5-13(18)6-8-14/h1-8,11H,9-10,17-18H2
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| InChIKey |
XJKCUWIKBVSDPR-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