General Information of the Compound
| Compound ID |
CP0387488
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| Compound Name |
N-(3-aminopropyl)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H31N3O2S
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| Molecular Weight |
401.576
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| Canonical SMILES |
NCCCN(CCCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H31N3O2S/c23-14-8-17-25(28(26,27)22-11-2-1-3-12-22)16-7-6-15-24-18-13-20-9-4-5-10-21(20)19-24/h1-5,9-12H,6-8,13-19,23H2
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| InChIKey |
TZCUVQHTSAIQRA-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