General Information of the Compound
| Compound ID |
CP0390642
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| Compound Name |
(3R,4S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-1-methylsulfonyl-3-phenylpiperidin-4-amine
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| Structure |
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| Formula |
C22H25F3N6O3S
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| Molecular Weight |
510.542
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)S(C)(=O)=O)-n1nnnc1C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N6O3S/c1-34-20-9-8-17(31-21(22(23,24)25)27-28-29-31)12-16(20)13-26-19-10-11-30(35(2,32)33)14-18(19)15-6-4-3-5-7-15/h3-9,12,18-19,26H,10-11,13-14H2,1-2H3/t18-,19-/m0/s1
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| InChIKey |
RUDMNOHAIPDMCF-OALUTQOASA-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