General Information of the Compound
| Compound ID |
CP0442313
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-(7-methyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C23H25N3O3S2
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| Molecular Weight |
455.605
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| Canonical SMILES |
Cc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
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| InChI |
InChI=1S/C23H25N3O3S2/c1-16-5-2-8-20-18(14-25-23(16)20)10-11-24-15-21(27)17-6-3-7-19(13-17)26-31(28,29)22-9-4-12-30-22/h2-9,12-14,21,24-27H,10-11,15H2,1H3/t21-/m0/s1
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| InChIKey |
IUEXSERAHJBXBR-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