General Information of the Compound
| Compound ID |
CP0041353
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| Compound Name |
C-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin-1-yl]-ethyl}-1H-indol-5-yl)-N-methyl-methanesulfonamide
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| Structure |
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| Formula |
C24H32N4O2S
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| Molecular Weight |
440.613
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| Canonical SMILES |
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
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| InChI |
InChI=1S/C24H32N4O2S/c1-25-31(29,30)18-20-7-8-24-23(13-20)22(16-27-24)10-12-28-11-9-21(17-28)15-26-14-19-5-3-2-4-6-19/h2-8,13,16,21,25-27H,9-12,14-15,17-18H2,1H3/t21-/m0/s1
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| InChIKey |
MGCUTECDFDAQCK-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