General Information of the Compound
| Compound ID |
CP0456381
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| Compound Name |
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]quinoline-6-sulfonamide
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| Structure |
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| Formula |
C21H29N3O2S
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| Molecular Weight |
387.549
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| Canonical SMILES |
O=S(=O)(NCCCN1CCC2CCCCC2C1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C21H29N3O2S/c25-27(26,20-8-9-21-18(15-20)7-3-11-22-21)23-12-4-13-24-14-10-17-5-1-2-6-19(17)16-24/h3,7-9,11,15,17,19,23H,1-2,4-6,10,12-14,16H2
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| InChIKey |
UFCRUQMUSOIQNF-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