General Information of the Compound
| Compound ID |
CP0506073
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| Compound Name |
(2R)-1-[3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]piperazin-2-one
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| Structure |
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| Formula |
C22H23ClF4N4O3S
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| Molecular Weight |
534.963
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCNCC1=O)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H23ClF4N4O3S/c1-14-13-29(19-4-2-15(24)10-17(19)22(25,26)27)8-9-31(14)35(33,34)20-5-3-16(11-18(20)23)30-7-6-28-12-21(30)32/h2-5,10-11,14,28H,6-9,12-13H2,1H3/t14-/m1/s1
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| InChIKey |
NXDZNXJKTPFLSJ-CQSZACIVSA-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