General Information of the Compound
| Compound ID |
CP0478734
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| Compound Name |
(S)-(5-(4-methylpiperazin-1-yl)isoindolin-2-yl)(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone
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| Structure |
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| Formula |
C24H28F3N3O4S
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| Molecular Weight |
511.566
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)N1CCN(C)CC1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N3O4S/c1-16(24(25,26)27)34-22-7-6-20(35(3,32)33)13-21(22)23(31)30-14-17-4-5-19(12-18(17)15-30)29-10-8-28(2)9-11-29/h4-7,12-13,16H,8-11,14-15H2,1-3H3/t16-/m0/s1
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| InChIKey |
PGCHCAHHIBWCPB-INIZCTEOSA-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2