General Information of the Compound
| Compound ID |
CP0798362
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| Compound Name |
(S)-2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)biphenyl-4-yl)propanoic acid
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| Structure |
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| Formula |
C22H21N3O3
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| Molecular Weight |
375.428
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| Canonical SMILES |
Cc1nc(C)c(-c2ccc(-c3ccc([C@H](C)C(=O)O)cc3)cc2)nc1C(N)=O
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| InChI |
InChI=1S/C22H21N3O3/c1-12(22(27)28)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-13(2)24-14(3)20(25-19)21(23)26/h4-12H,1-3H3,(H2,23,26)(H,27,28)/t12-/m0/s1
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| InChIKey |
YHHUMCDPNZMBRC-LBPRGKRZSA-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