General Information of the Compound
| Compound ID |
CP0088171
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| Compound Name |
N-[[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C17H21F3N6O2S
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| Molecular Weight |
430.456
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| Canonical SMILES |
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
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| InChI |
InChI=1S/C17H21F3N6O2S/c1-29(27,28)23-9-14-24-13-8-22-16-12(2-5-21-16)15(13)26(14)11-3-6-25(7-4-11)10-17(18,19)20/h2,5,8,11,23H,3-4,6-7,9-10H2,1H3,(H,21,22)
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| InChIKey |
QCDYMUNPZWBSLY-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