General Information of the Compound
Compound ID |
CP0287973
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Compound Name |
2-[(2-butoxypyrimidin-4-yl)amino]benzoic acid
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Synonyms |
2-(2-butoxypyrimidin-4-ylamino)benzoic acid
2-[(2-butoxypyrimidin-4-yl)amino]benzoic Acid
4-anilinopyrimidine 1
AC1LZD2G
AKOS003630983
BDBM15977
CHEMBL242488
MCULE-6330252818
MolPort-002-549-430
STL297947
ZINC2272106
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Structure |
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Formula |
C15H17N3O3
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Molecular Weight |
287.319
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Canonical SMILES |
CCCCOc1nccc(Nc2ccccc2C(O)=O)n1
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InChI |
InChI=1S/C15H17N3O3/c1-2-3-10-21-15-16-9-8-13(18-15)17-12-7-5-4-6-11(12)14(19)20/h4-9H,2-3,10H2,1H3,(H,19,20)(H,16,17,18)
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InChIKey |
YTFVMUTWNFDKIY-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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ChEMBL ID |
Clinical Information about the Compound