General Information of the Compound
| Compound ID |
CP0240421
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| Compound Name |
(2S)-2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]propanoic acid
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| Structure |
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| Formula |
C22H19ClFN3O3
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| Molecular Weight |
427.863
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| Canonical SMILES |
C[C@H](C(O)=O)c1ccc(c(Cl)c1)-c1ccc(cc1F)-c1nc(C(N)=O)c(C)nc1C
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| InChI |
InChI=1S/C22H19ClFN3O3/c1-10(22(29)30)13-4-6-15(17(23)8-13)16-7-5-14(9-18(16)24)19-11(2)26-12(3)20(27-19)21(25)28/h4-10H,1-3H3,(H2,25,28)(H,29,30)/t10-/m0/s1
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| InChIKey |
YAPDIPJFHJVLDC-JTQLQIEISA-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: PT02536, Diacylglycerol O-acyltransferase 1