General Information of the Compound
| Compound ID |
CP0317638
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| Compound Name |
6-(4-acetylpiperazin-1-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
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| Formula |
C24H29F3N4O3S
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| Molecular Weight |
510.582
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| Canonical SMILES |
CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)N1CCc2cc(ccc2C1)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H29F3N4O3S/c1-18(32)29-11-13-30(14-12-29)22-8-7-20-17-31(10-9-19(20)15-22)35(33,34)28(2)16-21-5-3-4-6-23(21)24(25,26)27/h3-8,15H,9-14,16-17H2,1-2H3
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| InChIKey |
FCXQRWNSSFAJRQ-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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