General Information of the Compound
| Compound ID |
CP0433490
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| Compound Name |
2-(2-methyl-1-(pyrimidin-4-yl)-1H-indol-3-yl)acetic acid
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| Structure |
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| Formula |
C15H13N3O2
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| Molecular Weight |
267.288
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccccc2n1-c1ccncn1
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| InChI |
InChI=1S/C15H13N3O2/c1-10-12(8-15(19)20)11-4-2-3-5-13(11)18(10)14-6-7-16-9-17-14/h2-7,9H,8H2,1H3,(H,19,20)
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| InChIKey |
NGPPRCGRYKKENV-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