General Information of the Compound
| Compound ID |
CP0525788
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| Compound Name |
(R)-1-(4-(1,1-difluoroethyl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
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| Structure |
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| Formula |
C20H25F2N3O2S
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| Molecular Weight |
409.502
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| Canonical SMILES |
C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)F
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| InChI |
InChI=1S/C20H25F2N3O2S/c1-16-15-24(12-9-17-7-10-23-11-8-17)13-14-25(16)28(26,27)19-5-3-18(4-6-19)20(2,21)22/h3-8,10-11,16H,9,12-15H2,1-2H3/t16-/m1/s1
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| InChIKey |
ZVBJVIARCWYLQU-MRXNPFEDSA-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