General Information of the Compound
| Compound ID |
CP0015934
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| Compound Name |
(S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
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| Synonyms |
BDBM50343726
GTPL8123
PMID21493067C1d
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| Structure |
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| Formula |
C17H15F2N7
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| Molecular Weight |
355.352
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| Canonical SMILES |
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1
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| InChI |
InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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| InChIKey |
HIHOEGPXVVKJPP-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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Clinical Information about the Compound
Drug 1 ( PMID21493067C1d )
| Drug Name | PMID21493067C1d | ||
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