General Information of the Compound
| Compound ID |
CP0489989
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| Compound Name |
2-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)-5-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C23H22F3N5O4
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| Molecular Weight |
489.454
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| Canonical SMILES |
[O-][N+](=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1C#N)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N5O4/c24-23(25,26)17-1-3-20(16(13-17)15-27)28-5-7-30(8-6-28)22(32)19-14-18(31(33)34)2-4-21(19)29-9-11-35-12-10-29/h1-4,13-14H,5-12H2
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| InChIKey |
UTBGLPKQRFEQNO-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2