General Information of the Compound
| Compound ID |
CP0511831
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| Compound Name |
6-(4-acetylpiperazin-1-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
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| Formula |
C23H28ClFN4O3S
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| Molecular Weight |
495.02
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| Canonical SMILES |
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCc2cc(ccc2C1)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C23H28ClFN4O3S/c1-17(30)27-10-12-28(13-11-27)20-7-6-19-15-29(9-8-18(19)14-20)33(31,32)26(2)16-21-22(24)4-3-5-23(21)25/h3-7,14H,8-13,15-16H2,1-2H3
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| InChIKey |
NSTZLLFHPYOWMP-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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