General Information of the Compound
| Compound ID |
CP0406422
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| Compound Name |
US8748624, 43
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| Synonyms |
PMID25828189-Compound-10
Picolinamido propanoic acid derivative 1
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| Structure |
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| Formula |
C31H24ClF6N3O3
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| Molecular Weight |
635.992
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| Canonical SMILES |
Cc1cc(ccc1-c1ccc(NCc2ccc(cc2-c2ccc(nc2)C(=O)NCCC(O)=O)C(F)(F)F)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C31H24ClF6N3O3/c1-17-12-20(30(33,34)35)5-7-23(17)24-8-6-22(14-26(24)32)40-15-18-2-4-21(31(36,37)38)13-25(18)19-3-9-27(41-16-19)29(44)39-11-10-28(42)43/h2-9,12-14,16,40H,10-11,15H2,1H3,(H,39,44)(H,42,43)
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| InChIKey |
GPKUFXAKPUJEDG-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
Drug 1 ( Picolinamido propanoic acid derivative 1 )
| Drug Name | Picolinamido propanoic acid derivative 1 | ||
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| Company | JANSSEN PHARMACEUTICA NV CHAKRAVARTY, Devraj KREUTTER, Kevin POWELL, Mark SHOOK, Brian SONG, Fengbin XU, Guozhang YANG, Shyh-ming ZHANG, Rui ZHAO, Bao-pin | ||
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