General Information of the Compound
| Compound ID |
CP0296225
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| Compound Name |
2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzamide
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| Synonyms |
2-(2-(phenylamino)pyrimidin-4-ylamino)benzamide
4-anilinopyrimidine 2a
BDBM15995
CHEMBL428213
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| Structure |
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| Formula |
C17H15N5O
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| Molecular Weight |
305.341
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| Canonical SMILES |
NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
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| InChI |
InChI=1S/C17H15N5O/c18-16(23)13-8-4-5-9-14(13)21-15-10-11-19-17(22-15)20-12-6-2-1-3-7-12/h1-11H,(H2,18,23)(H2,19,20,21,22)
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| InChIKey |
TVKTVNQGZQPCAT-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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Clinical Information about the Compound