General Information of the Compound
| Compound ID |
CP0189579
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| Compound Name |
US8765972, 127
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| Structure |
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| Formula |
C21H28FN3O2
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| Molecular Weight |
373.472
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| Canonical SMILES |
CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cc(F)cc2C(N)=O
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| InChI |
InChI=1S/C21H28FN3O2/c1-13-17-11-14(22)12-18(20(23)26)19(17)21(27)25(13)16-7-9-24(10-8-16)15-5-3-2-4-6-15/h11-13,15-16H,2-10H2,1H3,(H2,23,26)
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| InChIKey |
JMSHIEXDPIOMCA-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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