General Information of the Compound
| Compound ID |
CP0873365
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| Compound Name |
Naphthalene-2-sulfonic acid [3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-amide
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| Structure |
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| Formula |
C24H25N3O2S
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| Molecular Weight |
419.55
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| Canonical SMILES |
CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
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| InChI |
InChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3/t21-/m0/s1
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| InChIKey |
RIODAMKKYXEOCC-NRFANRHFSA-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